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from the publishers of © 2011 PerkinElmer, Inc. 400280_06. All trademarks or registered trademarks are the property of PerkinElmer, Inc. and/or its subsidiaries. o: CID3639PerkinElmer TIBCO Spotfi re Breakthrough Print Ad 213mmx282mm Finish Size: Date: 12/02 /13 Job: Sarah Pruett/206.313.1252 Production: WHMCreative Created By: TIBCO Spotfire Scientific breakthroughsdon’t happen everyday. ButwiththeTIBCOSpotfire With suchapowerfultool,youcantakecomplete controlofyourdata: you immediateinsightsandevenansweringquestions youhaven’t posedyet. happen moreoften.TIBCOSpotfire It’s thateasy. • • AND INSTANTLY QUERYINGDATA YOUR BREAKTHROUGH MOMENT VISUALIZING THEANSWER Identify newrelationships,isolatesignificant outliers,andeasilyspottrendspatterns. properties, biologicalassays,andmore. Combine datafrommultiplesources—chemical structures, text,numbers,images,chemical www.perkinelmer.com/spotfi re-scientifi ccomputingworld on yournextbreakthrough today. Download yourfree trialandgetstarted ® softwareconnectstodatasourceswithjustafew clicks—andrunsvisualizationsinstantly. ® softwarevisualizesyourdatainstunning,impactful analyses—giving ns CMYK -MatchtoPMSswatchesforPMS299C,369C, Inks: Stock: TBD #46 PMS 423C,286C, PMS144C ® platform,theyjustmight contents | Laboratory informatics guide 2014

Welcome

There is a paradox at the heart of this year’s Laboratory Informatics Guide. On the one hand, we have an article showing how technology developed for the consumer market can help drive down costs and improve efficiencies in the work of the analytical laboratory. But we also have an article lamenting how the sort of information sharing that consumers take for granted – think Flickr or Facebook – is INTEGRATED LABORATORIES 4 currently impossible in laboratory informatics. Peter Boogaard reviews efforts to make the laboratory an For very good reasons, change tends to be slow in this integrated operation discipline. No one can play with electronic systems to see how to make them more efficient or cheaper – not if those DATA INTERCHANGE 10 systems have to conform to regulations issued by the US Food and Drug Administration and counterpart bodies in Standardisation is crucial in a world where sharing is increasingly commonplace, argues John Trigg other countries. Change has to be carefully orchestrated. However, the pressure for change never goes away. Analytical laboratories, whether in discovery or quality INFORMATICS IN ACTION 14 control, have to justify their cost and demonstrate to higher Sophia Ktori canvasses the views of some key users of management that costs are being driven down. informatics systems – from laboratories to multinationals As Robert Roe’s article on page 26 demonstrates, sometimes the change comes from technologies developed in entirely Product round-up 20 different spheres for entirely different purposes. Mobile A selection of informatics products currently on the market, phones and tablet computers, developed for the consumer rounded up by Robert Roe market, are forcing informatics vendors to modify their systems to allow for the input, processing and analysis of data Analysis on the go 26 through these devices. Peter Boogaard reports on the progress being made towards Robert Roe discovers how mobile phones and associated software the integrated and paperless laboratory on page 4. However, are becoming increasingly important in laboratories the lack of common standards for interchanging laboratory data is an obstacle to the further development of informatics Suppliers 30 and progress has been frustratingly slow, as John Trigg A comprehensive listing of suppliers, discusses on page 10. consultants and integrators So this year, the glass is half-full. Let us hope that by the time next year’s Laboratory Informatics Guide is published, we can report that the cup is brimming over!

Tom Wilkie Editor-in-chief

EDITORIAL AND ADMINISTRATIVE TEAM Editor: Beth Harlen ([email protected]) Feature Writers: Robert Roe, Peter Boogaard, John Trigg, Sophia Ktori Production editor: Tim Gillett Circulation/readership enquiries: Pete Vine ([email protected]) ADVERTISING TEAM Advertising Sales Manager: Darren Ebbs ([email protected]) Tel: +44 (0) 1223 275465 Fax +44 (0) 1223 213385 Business Development Manager: Sarah Ellis-Miller ([email protected]) Tel: +44 (0) 1223 275466 Fax +44 (0) 1223 213385 Advertising Production: David Houghton ([email protected]) Tel: +44 (0)1223 275474 Fax: +44 (0) 1223 213385 CORPORATE TEAM Publishing Director: Warren Clark Chairman and Publisher: Dr Tom Wilkie Web: www.scientific-computing.com

SUBSCRIPTIONS: The Laboratory Informatics Guide 2014 is published by Europa Science Ltd, which also publishes Scientific Computing World. Free registration is available to qualifying individuals (register online at www. scientific-computing.com). Subscriptions £100 a year for six issues to readers outside registration requirements. Single issue £20. Orders to ESL, SCW Circulation, 9 Clifton Court, Cambridge CB1 7BN, UK. Tel: +44 (0)1223 211170. Fax: +44 (0)1223 213385. ©2013 Europa Science Ltd. Whilst every care has been taken in the compilation of this magazine, errors or omissions are not the responsibility of the publishers or of the editorial staff. Opinions expressed are not necessarily those of the publishers or editorial staff. All rights reserved. Unless specifically stated, goods or services mentioned are not formally endorsed by Europa Science Ltd, which does not guarantee or endorse or accept any liability for any goods and/or services featured in this publication.

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Cover: Shutterstock.com

www.scientific-computing.com/lig2014 | 3 Laboratory informatics guide 2014 | Integrated laboratories Joining up the laboratory Nixx Photography/Shutterstock Peter Boogaard reviews efforts to make the laboratory an integrated operation

t is easier to get data into scientific The initial objective was to support the across the entire product lifecycle, and may databases than to get valuable laboratory manager with tools to create include external organisations such as CROs I information out of it. For years, we simple reporting capabilities to enable the and CMOs (Table 1). A different mind-set is have been spending time and money to creation of simple certificate of analysis (CoA) required to adapt to this expanded view of integrate systems and processes in the reports. These systems were initially designed the world. It is critical to first analyse who laboratory’s knowledge value chain. Many to support a single consumer, namely the these new lab-data consumers are, and get laboratory integration projects are under scientists and lab managers. In today’s world, an understanding of what their objectives pressure to deliver on their expectations, as consumers of laboratory data can be found are. Often forgotten, but as important, is defined at the kick-off of. So why is it that to investigate what their perspective is on laboratory integration is so difficult? What Stephen Covey phrased it very usability. The newcomers may be a non- are the obstacles to creating value for the nicely: ‘Seek first to understand…. technical audience! Stephen Covey phrased consumers of the laboratory data? Do we And then to be understood.’ It may it very nicely: ‘Seek first to understand…. know what these users need and how they And then to be understood.’1 It may sound would like to consume this information? sound obvious, but it still remains a obvious, but it still remains a valuable Imagine that in the music world, each valuable statement before starting statement before starting any automation label has its own proprietary music file any automation project project. ➤ format. How would you be able to share music? By default, standards make it easier to create, share, and integrate data. Do Table 1: Selected consumers of laboratory information data we know the requirements of such a data standard? What about managing metadata- Consumer Objective Impact / benefit controlled vocabularies? Data standards Patient Assure secure instant access to Better healthcare at lower cost are the rules by which data are described medical data for doctors. and recorded. In order to share, exchange, Fellow Re-use experimental data and leverage Higher efficiency and quality and understand data, we must standardise scientist learning. Higher efficiency and quality. the format (data container) as well as the Consistent meta and context data meaning (metadata/context). As of today, Legal Protect company IP Consistent externalisation processes there is no unified scientific data standard (CROs) in place to support heterogeneous and Finance Understand overall life-cycle cost of Holistic overall view multi-discipline analytical technologies. operation There have been several attempts but Customer Product complaints and product Secure branding image of company they are limited in scope, not extensible care investigations or incomplete, resulting in recurring, Regulation Faster responses to compliance Simpler mechanism to audit cumbersome and expensive software inquiries heterogeneous scientific data customisations. Management Identify areas for continuous Risk-based information across improvement in process. Reduce costs heterogeneous data systems Pay attention to the Stability labs Simpler mechanism to create Faster responses during studies, consumer of the data e-submissions. Ability to submit Increased efficiency standardised e-stability data packages Integrating laboratory instruments started when instrument vendors, such as Perkin- CRO/CMO Focus on lowering cost/analysis by Acceleration move from paper to decreasing IT complexity and overhead ‘paper-on-glass’ Elmer and Beckmann Instruments, created the first laboratory information management IT Reduce bespoke/custom systems. Unified systems. Simplify IT pro- system (LIMS) software, in the early 1980s. Consolidation of systems. Reduce costs cesses

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Laboratory informatics guide 2014 | Integrated laboratories

to facilitate data-processing, data-exchange, and verification. One of the ultimate goals PerkinElmer is to eliminate widespread inefficiencies in laboratory data management, archival, transmittal, and retrieval, and to support a start-to-finish product quality lifecycle, which would enable cross-functional collaboration between research, development, quality assurance and manufacturing. The framework will include metadata dictionaries, data standards, and class libraries for managing analytical data throughout its lifespan. Existing or emerging standards will be evaluated and used as appropriate, to avoid ‘reinventing the wheel’. Example of dashboard It is a wake-up call for the industry but one that may be muted by our risk-avoiding, ➤ l For the scientific researcher, the ability or data systems can be challenging and is sceptical mindset. It is reminiscent of how to record data, make observations, expensive. Initiatives such as the Allotrope the database technologies emerged in the describe procedures, include images, Foundation2 are working hard to address 1970s. The reader is challenged to identify drawings and diagrams and collaborate these badly needed common standards. the similarities between the development with others to find new chemical The Allotrope Foundation is an of SQL, and the initiative to create an compounds, biological structures, without international not-for-profit association of intelligent and automated analytical any limitation, requires a flexible user biotech and pharmaceutical companies laboratory. interface. building a common laboratory information l For the QA/QC analyst or operator, the Glass half full or half empty? requirements for an integrated laboratory The framework will include The deployment of computerised database are quite different. A simple, natural- metadata dictionaries, data systems started in the 1960s, when the use language based platform to ensure that of corporate computers became mainstream. proper procedures are followed will be standards, and class libraries There were two popular database models liked. for managing analytical data in this decade: a network model called l To investigate a client’s complaint throughout its lifespan CODASYL; and a hierarchical model called professionally, the customer care IMS. In 1970, Ted Codd (IBM) published employee requires a quick and complete framework for an interoperable means of an important paper to propose the use of a dashboard report to look at metrics for all generating, storing, retrieving, transmitting, relational database model. His ideas changed cases, assignments, and progress in real- analysing and archiving laboratory data, the way people thought about databases. In time, by task, severity, event cause, and and higher-level business objects such as his model, the database’s schema, or logical root cause. The devil is in the detail, and study reports and regulatory submission organisation, is disconnected from physical that’s where the laboratory data may give files. The deliverables from the foundation, information storage, and this became the significant insights. sponsored by industry leaders such as standard principle for database systems. l Legal: Instead of saying ‘we saw that Pfizer, Abbott, Amgen, Baxter, BI, BMS, Several query language were developed, a couple of years ago, but we don’t Merck, GSK, Genentech, Roche and others, however the structured query language, or remember much about it’, sensitive are an extensible framework that defines a SQL, became the standard query language information can searched and retrieved, common standard for data representation in the 1980s and was embraced by the ➤ including archives. l During regulatory inspections ‘show me Table 2: SQL pros and cons all the data during this time frame, which raw material batches were involved and Why traditional hierarchical The SQL a success story show me all the details’. was initially abandoned Complex architecture Extensible open architecture Heterogeneous scientific challenges Slow responses Split physical & meta data The lack of data standards is a serious concern in the scientific community. It may Vendor bound Product independent seem a boring topic these days, but the need Inflexible and fixed data schemas User definable flexible ad-hoc queries capabilities for standardisation in our industry, has Required mindset change Availability of faster computers and networks never been higher. Without such standards, Invasive technology Single database language automating data capture from instruments

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Laboratory informatics guide 2014 | Integrated laboratories

Innovation Ecosystem AnIML converters or plug-in in third party open data standards l vendor agnostic components. Other examples of changes in the way

Allotrope Foundation Allotrope Scientific data Document Information to laboratories may operate in the future relate Collection Preperation Consumers to how balance and titration instrument vendors are increasing the value of their instruments by implementing approved and LC-UV Candidate Selection Your Company pre-validated methods in their instruments. This may sound a small step, but it may Certificate have a significant impact on validation LC-MS of Analysis efforts in the laboratory and manufacturing Click Stability Click operations, such as fewer points of failure GC-FID Report Method/ during operation, less customisation of Data Transfer Business software and better documentation. NMR Analytics The desire to convert manufacturing CRO CMO processes from traditional batch-oriented Thermal Regulatory Submission processes to a continuous operation has Water accelerated process analytical techniques . et cetera . (PAT) technologies as a way to create et cetera . . . Partnerships

E-Workbook Suite (IDBS) allows The benefits of open data standards spectra files to be dropped in from the experiment whereby they are ➤ entire industry. Vendor specific proprietary range of analytical measurement techniques. automatically converted to AnIML extensions (e.g. PL/SQL3) were allowed in AnIML documents can capture laboratory the concept, allowing individual vendors to workflows and results, no matter which and rendered extend capabilities. instruments or measurement techniques Now back to the laboratory. The current were used. sustainable and flexible approaches for situation is that there is no framework E-Workbook Suite (IDBS) allows spectra manufacturing operations. PAT is expected for scientific data standards. Formats are files to be dropped in from the experiment to grow significantly in the next decade. vendor bound, product dependent, and in whereby they are automatically converted Over time, in-line, @line and on-line many cases based upon a closed architecture to AnIML and rendered. The rendering analysis will complement and potentially and are complex in nature. There are application then allows the scientist to substitute off-line (batch oriented) plausible reasons why, at this moment, our annotate the spectra with searchable laboratory manufacturing processes. industry has no general accepted raw-data chemical structures, text, hyperlinks to International regulatory authorities such and metadata standards, but should we not other systems and records. The AnIML data as ICH, FDA and ISPE are evaluating these learn from other industries and adopt best is also indexed alongside everything else new processes intensively and developing practices? allowing specific searching of metadata and new workflows. These processes will have The Analytical Information Markup properties. These processes are non-invasive a high impact on how QA/QC laboratories Language (AnIML) is the emerging ASTM meaning that the originals raw data files are will operate in next decade. International XML standard for analytical chemistry also kept. industry standards such as ANSI/ISA-88 data. The project is a collaborative effort An application programming interface (covering batch process control) and ANSI/ between many groups and individuals and (API) specifies how some software ISA-95 (covering automated interfaces is sanctioned by the ASTM subcommittee components should interact with each between enterprise and control systems), E13.15.4 An AnIML is a standardised data other, allowing customers and third parties are commonly used in manufacturing. By format that allows for storing and sharing of to extend the types of spectra that are experimental data. It is suitable for a wide supported by writing new raw data to References 1The 7 Habits of Highly Effective People – Stephen Table 3: Applying standards requires a different mindset Covey 1990 2Allotrope Foundation – www.allotrope.org 3PL/SQL (Procedural Language/Structured Query Glass half empty Glass half full Language) is Oracle Corporation’s procedural language extension for SQL and the Oracle The market is too disperse Technologies are emerging rapidly relational database Technology not available XML and AnIML are accepted as standards 4Subcommittee E13.15 on Analytical Data - www.astm.org/COMMIT/SUBCOMMIT/E1315.htm Vendor protection Empowered customers 5Technology Management In The Age Of The Customer - Forrester research 2013 Poor performance Consistent unified long time archive process

8 | www.scientific-computing.com/lig2014 Integrated laboratories | Laboratory informatics guide 2014

Table 4: Potential integrated laboratory killer apps infrastructure and traditional internal IT processes, but also activities to ensure they Laboratory integration killer apps deliver value for their ‘client’.5 The power Archiving The perception of data archiving is often related only to storing of an integrated laboratory environment data. Having meta-data standards as part of the archive proce- is its ability to find detailed answers to dure, will enable data to be re-used for collaboration between different instruments in-house or externally with CROs support the overall business process. It is pure waste to perform labour-intensive Data finder and data viewer The ability to do full context searching across heterogeneous data sources, across in-house and external data systems and hunting for information across multi- archives and display in unified viewer vendor, multi-technique databases, manual Regulatory reviews The ability to build and transmit to regulatory agencies a stan- transcription checking and to manually dard data package for inspection without altering the underlying create reports. Having a common industry information (e.g. regulatory submissions, stability studies) standard framework will decrease process Reduction in (re)-qualification In a GxP environment, the ability to automatically update USP variability resulting in better quality and processes methods across individual instruments will significantly reduce the requalification process overall consistency. Non-invasive processes have proven to be successful in other industries. It is now up to the industry, incorporating these standards, scientists manufacturing. ERP and MES applications regulatory bodies and vendors of scientific will be able to mine information from are using these standards and it is very instrumentation and software platforms development and manufacturing for likely that integrated laboratory data to make it happen. Integrating laboratory improved process and product design. management capabilities will be included information really means integrating In addition, information is more readily within their software capabilities. scientific data collected in the laboratory transferable between systems. For example, and beyond. Time will tell if this industry a recipe delivered in early development can Conclusion has been able to adopt such a strategy. l be rapidly transferred to a lab execution Empowered customers are disrupting system for API manufacture and then to a every industry. Technology managers must Peter Boogaard is an independent laboratory method execution system for mainstream broaden their agenda to consider not just informatics consultant

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www.scientific-computing.com/lig2014 | 9 Ramcreations/Shutterstock Data interchange standards: what, why and when? Standardisation is crucial in a world where sharing is increasingly commonplace, argues John Trigg

hy can ordinary consumers share to work more efficiently and effectively if and we will become totally dependent on their data when the laboratory there are common standards for exchanging technology in order to access electronic W informatics community cannot? data. On the other side, the vendors argue records. Basically we will no longer have Sharing and collaboration are becoming that standards would constrain innovation any physical artefacts that represent second nature in the consumer world where in the development of tools for capturing our accumulated records of laboratory the ability to communicate and transfer data and processing data. In the background is a experimentation and their outcomes. It over the web has become a routine part of more political viewpoint: proprietary data will all be digital; the IT industry has a everyday life; to the point where the terms formats facilitate a commercial ‘lock-in’ for poor track record when it comes to digital ‘upload’ and ‘download’ are part of everyday the vendors; and the adoption of open data preservation. vocabulary. A simple example is the ability standards would disrupt the marketplace, However, the long-term preservation to take a photograph on a camera phone, not only for the vendors, but also for the of electronic records does present one and immediately upload it to a photo- third-party systems’ integrators. example of where a standard – PDF or sharing site, or email it, or ‘message’ it or Few people could argue against the PDF/A – has been adopted in the laboratory tweet it. The ability to do this is totally benefits of data standards. Laboratories world. However, electronic document dependent on standards; the internet would welcome the ability to acquire data standards, such as PDF and PDF/A, have provides the infrastructure; wi-fi or telecoms and then process it, view it, store it, share a very different purpose from that of data provide the messaging; and the device interchange standards. With regard to (camera/phone) generates the data (photo) in One of the consequences of the the write-up of an experiment, PDF or a format that can be used by other transition from paper to digital PDF/A can preserve a rendition of the data applications. It’s a process everyone takes for generated in the experiment, but does not granted, without having to worry about the technologies is that we are going into preserve the data itself. In order to preserve data format of the photo and whether the the unknown, and we will become the data and to maintain the capability to recipient will be able to open it. It may be totally dependent on technology use and re-use it over the long term, then a thought a simplistic example, particularly data interchange standard is necessary. when compared to the complexity of it, re-analyse it, and preserve it without The transition from paper to electronic laboratory systems that serve an extensive the constraints of proprietary data-capture lab notebooks created the need to be able to range of measurement and other services, software and integration tools. The preserve, for several decades, the integrity, but the underlying principle paints a vivid advantages include not only ease of use, authenticity, and readability of experimental picture of how laboratory systems ought to but also the reduction in costs associated records to support business and scientific be able to work together. with third party and custom solutions to requirements. PDF and PDF/A both have Yet the laboratory informatics community interface laboratory devices and systems. A ISO registration as open standards, and has been debating for decades the topic of less obvious benefit is the ability to archive are typically used to provide the electronic standards for interchanging data, or more data in a human-readable format over the rendition of the experimental ‘document’. accurately the lack of such standards. long term. One of the consequences of the The primary purpose is the preservation On one side of the debate is a compelling transition from paper to digital technologies of a flat document, including the text, argument that says laboratories will be able is that we are going into the unknown, fonts, graphics, and other information

10 | www.scientific-computing.com/lig2014 standards | Laboratory informatics guide 2014 Marie Nimrichterova/S.John/Shutterstock Marie

needed to display it. PDF/A is a version l Improved productivity is increasingly l Innovation arises from correlating, of the portable document format (PDF) dependent on automation and the mining, visualising, and making sense of developed specifically for archiving elimination of inefficient steps and data from multiple sources. Again, these electronic documents. It differs from PDF manipulations in data handling. processes can be easier and faster, if data by omitting features that are unsuitable for Standards for data interchange would can be stored and accessed in standard long-term archiving, such as font linking (as simplify instrument interfaces, cut formats. opposed to font embedding). It identifies a interfacing costs, reduce errors, and A few standards for interchanging ‘profile’ for electronic documents to ensure simplify validation; laboratory data do exist, but they have not that they can be reproduced in exactly l Outsourcing, or externalisation, been adopted on an industry-wide scale. the same way over years to come. Key to involves communicating and sharing If the business case is so strong, why this reproducibility is the requirement for data across wide geographic areas is it taking so long to make any progress? PDF/A documents to be 100 per cent self- and disparate technologies. Standards From a technology perspective, there has contained. All the information necessary for data interchange can facilitate never been a better time to exploit the for displaying the document in the same these communications by removing potential of standards: the development of manner every time is embedded in the file. the dependence of the data on the a global infrastructure in the form of the The business case for data interchange application that created them. In other internet has provided a platform that other standards is quite clear, as companies words, the data can be stored, viewed, consumer and business domains are taking focus on: productivity (cost reduction); and manipulated in applications other full advantage of, as the example of photo outsourcing or externalisation; and than the one in which it was created; sharing illustrates. However, digitising innovation: and the laboratory has been a slow journey, ➤

www.scientific-computing.com/lig2014 | 11 Laboratory informatics guide 2014 | Standards

➤ stretching over four decades. As laboratories tools for biomolecular representation. academic, government, and vendor become progressively ‘paperless’, progress The consortium for Standardization in Lab communities. towards a fully integrated environment will Automation (SiLA, www.sila-standard.org) is It is far too soon to estimate what the depend on overcoming the limitations posed developing and introducing new interface and industry associations will achieve, and there by the current lack of data standards. data management standards to allow the rapid is a risk that the industry may end up with Organisations such as the Pistoia Alliance, integration of lab automation systems. SiLA is a multitude of standards. The diversity of the Allotrope Foundation, and the Consortium a not-for-profit membership corporation with laboratory types, the wide range of different for Standardisation in Lab Automation (SiLA) a global footprint and is open to institutions, data generators spanning different technologies have recognised and taken action to address corporations, and individuals active in the and vendor communities, and the range of the issue from the standpoint of ‘industry life science lab automation industry. Leading informatics’ tools all conspire to add enormous associations’. system manufacturers, software suppliers, complexity to the challenge. Furthermore As Peter Boogaard explains in the previous system integrators and Pharma/Biotech there is the need to agree not only the article, the Allotrope Foundation (www. corporations have joined the SiLA consortium technical format of a data standard, but also allotrope.org) is an international association and participate in and contribute to different the ontologies and vocabularies for relevant of biotech and pharmaceutical companies technical work groups. laboratory data elements. It is not unusual to that are collaborating to build a common find misunderstandings of data definitions laboratory information framework for an within a single company, let alone across an interoperable means of generating, storing, industry! retrieving, transmitting, analysing, and Where will the laboratory informatics archiving laboratory data, as well as higher- community stand if and when data interchange level business objects such as study reports standards emerge? Firstly, laboratory and files of regulatory submissions. In a integration would become easier, cheaper, recent press release, Allotrope Foundation and more effective. However, the long announced its partnership with Osthus to history of incremental adoption of laboratory build the framework, which will have three Ratchagit/Shutterstock Tada technologies has left a legacy of proprietary interacting components: approaches to interfacing laboratory and 1. Open document standards based on business systems. A data standard would XML, JSON or other formats that support be dependent on industry-wide agreement, structured data; approval by various regulatory bodies and 2. Open metadata repositories containing The long history of incremental other interested parties, and the willingness dictionaries to provide accurate metadata adoption of laboratory technologies of the vendor community to cooperate. As input into laboratory systems; has left a legacy of proprietary strong as the business case may be, the task is 3. Open-source class libraries that will approaches to interfacing laboratory therefore far from straightforward and has no produce and consume content from the first guarantee of success. and second components; and business systems However, there may be another approach, The Pistoia Alliance (www.pistoiaalliance. which will not be driven by the informatics org) is a global, non-profit, precompetitive In addition to the strategic activity of these community itself, but which may develop alliance of life science companies, vendors, industry associations, the most prominent through the adoption of emerging technologies. publishers, and academic groups that is initiative in developing a data interchange The development of an ‘internet of things’ – aiming to lower barriers to innovation by standard is AnIML (animl.sourceforge.net). where every ‘thing’ is uniquely identified and improving the interoperability of R&D AnIML is a standardised XML data format that seamlessly connected into the information business processes. The Pistoia Alliance can be used for storing and sharing experiment network – will depend on the adoption of data is trying to identify the root causes of data. It is suitable for a wide range of scientific and communication standards to facilitate data inefficiencies in R&D and to develop best disciplines. Its origins are in the analytical capture, connectivity, and interoperability. practices and pilot technology. Pistoia is chemistry, but the scope has been extended to So, if every piece of laboratory equipment not a standards group, but the membership include biological data. that generates data can have its own IP recognises that their organisations are AnIML documents can capture laboratory address and can be linked seamlessly into tackling common precompetitive problems workflows and results, irrespective of the the networks, a truly integrated business – aggregating, accessing, and sharing data instrument or measurement technique used. ecosystem that incorporates laboratory data that is essential to innovation, but provides To achieve this, AnIML provides a generic and information management becomes little competitive advantage. The ELN data-container that permits the storage of possible. project (ELN Query Standard) initiated by sample information, method information, The relentless evolution of new technologies the Pistoia Alliance has ground to a halt, but measurement results, instruments and offers the hope that if all else fails, then the could be revisited if there were sufficient software used, as well as workflow information trends in integration, sharing and collaboration interest amongst members. However, there that ties experiments and samples together. in the consumer world may provide the basis is good progress with the release of the AnIML is being developed by the ASTM and incentive to address requirements in the HELM (Hierarchical Editing Language for E13.15 subcommittee on analytical data, laboratory. l Macromolecules), a standard open source which consists of volunteers from industrial, John Trigg is director of phaseFour Informatics.

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LIG 2014.indd 1 22/11/2013 09:48:48 Sergey Nivens/Shutterstock

Informatics in action From contact testing laboratories to multinational companies, informatics systems have an important role to play. Sophia Ktori spoke to some of the users

David Hawkins, CEO at Butterworth Laboratories

utterworth Laboratories is a fully following a review of its existing information management and sharing of data, including independent UK provider of management system, which was largely client requests and quotes, along with sample B contract analytical services. It offers paper-based and inefficient, explains David receipt and tracking, the allocation of test method development, method validation, Hawkins, chief operating officer and head of specifications and requirements to our team stability testing, and QC testing services to quality assurance and IT. ‘We realised back of analysts, the management of laboratory the pharmaceutical, medical device and in 2006 that we needed a LIMS platform and analytical data, results reporting to chemical industries, including analysis of raw that would operate as a process management clients, and invoicing. Information from materials, active ingredients, and finished system. Required functions included each stage needs to be visible to people in products. The laboratory is ISO 17025 overseeing the input, storage, retrieval, multiple departments, but we didn’t have (2005)-accredited, and GLP/GMP compliant, the infrastructure to make that possible with specialisation in chromatography, wet We realised back in 2006 that electronically, and in standard formats.’ and general chemistry, metals analysis, we needed a LIMS platform Prior to implementing the Matrix Gemini physicochemical testing, and elemental LIMS, this information-flow largely involved microanalyses. that would operate as a process passing sheets of paper with the relevant Butterworth installed Autoscribe’s management system information from desk to desk between and Matrix Gemini LIMS platform in 2007, within departments. ‘We even employed

Butterworth Laboratories realised the need for a LIMS platform as long ago as 2006

14 | www.scientific-computing.com/lig2014 INFORMATICS | Laboratory informatics guide 2014 an individual to ferry documentation from the type and breadth of analyses, as well as has allowed Butterworth to use the LIMS as one department to another. Data entry was the sample type,’ Hawkins points out. ‘We its default system for functions including data manual and labour-intensive, and, from a don’t have a standard series of preconfigured mining, generating management reports, quality point of view, relatively high risk with analyses, such as those that would typically and reagent inventory. ‘From a management the potential for errors, or information loss, be run on finished pharmaceutical products, perspective, we can even use the system to which was far from ideal in a GMP- and GLP- for example, or on wastewater or clean water monitor and track the usage of each type compliant environment.’ samples for the utilities industry. We also of instrumentation and hardware, and Butterworth had very specific requirements send each client raw analytical data along calculate, for example, how much a particular for its LIMS, in that the system would have with the certificate of analysis, so we needed technique has earned in a given time period,’ to demonstrate significant flexibility due to the LIMS to interface with the electronic Hawkins adds. ‘Ultimately, the system has complex technical specifications. ‘We tend to documentation system that we use to scan in vastly improved efficiency, reduced the do the kinds of testing that our clients can’t, and store each printout of raw results.’ potential for errors, and provided business or don’t want to do in-house, which means The degree of flexibility and the ability to management and administrative benefits over each request is highly specific in terms of configure all aspects of the Autoscribe system and above its LIMS capabilities.’

Lloyd Colegrove, director of fundamental problem solving, statistics and modelling, Dow Chemical Company

ow Chemical Company getting these systems to interface reliably manufactures 5,000 products at is enough of a headache,’ Dow’s specialist D 188 sites in 36 countries, and LIMS team provides 24/7 support 365 days operates globally through six business a year, but there just aren’t the resources segments; electronic and functional available to make major improvements to materials, coatings and infrastructure how the organisation maximises use of solutions, agricultural sciences, the platform. ‘We also don’t necessarily performance materials, performance run the latest version, and I’ve recently plastics, and feedstocks and energy. been in discussions with Thermo Fisher Within its manufacturing operations, about upgrading,’ he adds. ‘Also, LIMS Bahía Blanca, Argentina – one of 36 countries in which the firm applies LIMS at a fairly basic sits within a global IT infrastructure that Dow operates level, to collect analytical data, carry out includes multiple informatics systems some basic data analytics inherent in and databases, including those inherited so they can support other users and pass the system, and communicate with the through mergers and buyouts. That global on that knowledge. ‘We have also reached product-release process to confirm that IT infrastructure is constantly changing, out to Thermo Fisher to provide a training the product meets specifications and and requires regular customisation of the curriculum that we can implement.’ allow product release, explains Lloyd LIMS platform just to keep the interface Dow’s relationship with Thermo Fisher Colegrove, director of fundamental spans some 20 years, but the company problem solving, statistics and modelling. There are a variety of issues probably hasn’t tapped into the expertise ‘The Thermo Scientific SampleManager that have held back implementation of its LIMS provider as far as it should or LIMS receives and stores data from our of the LIMS platform to its could have, which is not all that unusual. chromatography data systems (CDS) and full potential ‘I don’t necessarily want LIMS to do any other instrumentation, and from there the more than it does already for us, even data is used for laboratory management working. This will be especially relevant though I appreciate that we don’t exploit and quality systems functions. However, as Dow moves beyond running SAP R/3 to its capabilities fully. However, what I do we really don’t use the platform to its full the next level, NEA, with which LIMS will want is for LIMS to be an easier solution capability. It has many capabilities that we also have to communicate.’ to install and operate within the corporate just haven’t tapped into. As one production Training LIMS users is another issue that system. We need to show Thermo Fisher manager once pointed out to me, we’ve got holds back any incentive to use the LIMS exactly what we need and provide them a 747 that we use as a crop duster.’ to its full potential, he continues. ‘You have with an understanding of how we use the There are a variety of issues that have to ensure that expertise gained by one platform, so they can build us a system held back implementation of the LIMS person who uses the system is passed on that is suited to our particular workflows platform to its full potential, Colegrove when new people are brought in.’ To this and processes, and show us how to make explains. ‘LIMS is just one of a number end, individuals within Dow’s larger sites its implementation, customisation, and of informatics systems that all have to are appointed and trained as experts in ongoing improvement less complex and talk with each other across Dow, and particular aspects of LIMS implementation, more efficient.’

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Michelle Idiens, IT manager, Latis Scientific

atis Scientific is a UK contract testing alternate suite of tests. Using the AIS LIMS repetition of data input and potential sources of laboratory and consultancy firm, we can track every sample, while it is in error associated with that data entry.’ L accredited to ISO/IEC 17025:2005, transit, and know when it is live at a particular Results reporting to the client was still very that offers microbiology and chemical testing laboratory.’ AIS LIMS also provide a Labportal much a manual process using the old LIMS. services to the water, food, recreational, and system that allows clients to go online and Someone would have to generate a PDF after building-services industries. Three years ago register their own samples at any time of day or the laboratories had manually inputted all the company installed an AIS LIMS to replace location. ‘This is then sent to the LIM system so the results, and then e-mail the report to separate legacy systems in place at GR Micro that when the physical samples arrive they can the client. Invoicing was another task that and Oakland Calvert Consultants, the major be quickly processed. The tool also allows our could take up to an hour in one system per parts of which were consolidated into the Latis clients 24/7 access to their results on screen, as client. ‘As well as providing a complete audit Scientific organisation. a pdf or as an excel file.’ trail for each sample and set of results, the Latis offers a range of analytical suites interface with our laboratory instrumentation that comply with legislative requirements, Working with the relatively small means that the AIS LIMS generates and sends or can be designed to meet specific client team at AIS LIMS enabled the reports automatically to the client by email, requests. Operating two laboratories in the platform to be tailored exactly to the in the correct format, and a flexible invoicing UK and 10 sample reception sites, the firm requirements at Latis capability has dramatically reduced the time often has to transport multiple samples required for this operation.’ collected from reception sites to the different The legacy systems at GR Micro and Working with the relatively small team at laboratories, so its informatics challenges Oakland Calvert were outdated, incompatible, AIS LIMS enabled the platform to be tailored start as soon as the sample is received at one and each had a number of drawbacks, Idiens exactly to the requirements at Latis. ‘It’s a of the laboratories. ‘We needed a system that points out. ‘As well as allowing for complete COTS (commercial-off-the-shelf) software that could track and audit every sample from sample tracking, management and custody has been configured for the marketplace rather its arrival at the relevant testing laboratory, chain, the AIS LIMS platform is interfaced than by the industry, and the AIS LIMS team to logging of the sample on the analytical with the laboratory instrumentation, and has listened to our requirements and built-in instrumentation, results generation, and data has increased automation of both chemistry the features that we required. The system we reporting,’ explains Michelle Idiens, the firm’s and microbiology testing through barcode now have in place has provided us with full IT manager. ‘In many cases duplicate samples scanning of microbiology microplates, and sample tracking and auditing capabilities, from the same origin will be transported to direct scanning of samples onto analytical as well as an interface with laboratory one of our facilities, but one sample will then instrumentation for chemical testing. This instrumentation, and this has allowed a major be dispatched to our second facility for an automation has reduced hands-on time, reduction in the need for manual data entry.’

Latis Scientific offers microbiology and chemical services

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Laboratory informatics guide 2014 | INFORMATICS

Tom Tobin, LIMS administration head, and Graham O’Halloran, technical manager at Advanced Laboratory Testing, Ireland.

dvanced Laboratory Testing Ltd (ALT) is a fully Irish-owned A contract testing laboratory established in February 2013 to provide microbiology and chemistry testing services to the food industry in Ireland. The laboratory complies with ISO/IEC 17025:2005 for all analyses, offering customised solutions for testing raw and cooked foods, and water samples. ALT carries out microbiology testing of cooked and raw food, and water samples in three separate laboratories at its site in Newbridge, Co. Kildare. Food chemistry testing is outsourced to the firm’s partners, so an installed LIMS also has to be able to track outsourced samples, and manage data coming back into the system from outside sources. During 2013, ALT installed LabWare’s Enterprise Laboratory Platform LIMS, Microbiology work at Advanced Laboratory Testing underpinned by the LabWare Contract Template Solution, which is ideally suited quality management,’ comments Graham ALT is currently expanding to provide to the requirements of the Irish firm, O’Halloran, ALT’s technical manager. further on site testing for the explains Tom Tobin, who heads ALT’s LIMS One of the primary requirements of the administration. ‘We looked at the flow of contract food-testing sector is speed of environmental, food, and potentially samples through the lab, right from the turnaround and reporting to clients, Tobin pharmaceutical sectors point of sample receipt and entry into the continues. ‘LabWare’s Contract Template system, through to reporting and invoicing, Solution has been designed around the regulatory compliant, fully transparent to see what our requirements were at every needs of the contract-testing sector, audit trail. We were able to strip down the stage’. From our perspective, a LIMS had and could be configured to our specific number of steps it took to book samples in to be capable of allowing the processing requirements, which are primarily centred to our laboratory, barcode them and assign of high volumes of samples, with the on the need to manage sample volumes, each sample to the relevant laboratory, with stringency to enable the highest levels of enable sample throughput, and host a a specific suite of tests, so that delays at each stage were minimised,’ adds Graham O’Halloran. ALT also uses the LabWare LIMS to carry out results calculations, which are checked against specifications and highlighted and reported if a specification limit is exceeded. LIMS then produces the certificate of analysis, which is reviewed and approved before being sent out by the LIMS to the customer. ALT is currently expanding to provide further on site testing for the environmental, food, and potentially pharmaceutical sectors. ‘The flexibility of the LabWare LIMS, and the ability to add in additional modules configured to our requirements, will hopefully satisfy the informatics requirements associated with our growth Sample intake at Advanced Laboratory Testing and diversification,’ Tobin states.

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Laboratory informatics guide 2014 | Informatics products product round-up Robert Roe presents a selection of informatics products currently available Luchschen/Shutterstock

Abbott has announced version 11 AgileBio, a provider of IT solutions including improvement of the user is transferred to other parties and of the its Starlims software-based specialising in web-based software interface with a more fluid usage, a when. This takes the burdens of ‘lab laboratory information management for life sciences has announced new content editor and grid custom notebook’ style record keeping into system (LIMS). the release of a new version of its field’s improvements for PDF and the project meeting and day-to-day It expands user functionality to electronic lab notebook (ELN), a printing exports; with a tree-view collaboration. include mobile device applications, complementary application to its summary. www.amphora-research.com advanced analytics, and HTML5 LIMS, LabCollector. ELN is an www.agilebio.com compatibility, enabling users to efficient and simple notebook to The BioXM Knowledge access LIMS information on any store, organise, find and share all Amphora provides PatentSafe, a Management Environment is screen. researchers’ laboratory experiments quick straightforward and cost- a fully customisable knowledge The software offers users in a variety of life sciences and other effective solution to the tricky management environment advanced analytics capabilities industries as well as in academic problem of laboratory notebooks that manages complex data with out-of-the-box dashboards research laboratories. in today’s environment. Amphora and transforms it into useful that enable labs to optimise This version of ELN v2.2 includes believes that the best approach for information. workflow and identify bottlenecks, new features with a collaborative users is to ‘get out of the way’. It The system is designed to be viewing data with visualisations and intuitive user interface enabling eschews ill thought-out features and configured easily; this makes it that are provided by advanced scientists to work with the ELN complex choices, instead allowing useful in several different areas. analytics. to support, complement or even the users to be able to focus on It is designed with a solution- Advanced analytics features replace the labs paper notebooks. science. building approach: rolling out a new include: forms that can be created The upgrade includes PatentSafe is particularly suited application to end-users takes only by users to run system-wide on improvements and new capabilities to modern approaches to research weeks. The system is continuously Chrome, Safari and other browsers record keeping. Along with the adapted while staying in production, for tablets and smartphones; two increasing ‘externalisation’ of which is aimed at reducing costs. new control libraries, one for research activity, with collaboration BioXM technology enables: desktop computers and another across organisational boundaries, expanding knowledge and for mobile devices; and touch the America Invents Act brings new integrating data from any source, controls that comply with concerns. The focus is no longer refining decision making, specifications for iPad and iPhone solely on experimental write-ups; connecting the dots explaining devices. now scientists need to ensure they systems, and creating new www.abbott.com can account for the knowledge that hypotheses to visualise relationships between data networks. www.biomax.com ACD Labs’ Spectrus software and make decisions faster and is a chemical and analytical with confidence. The human Bruker Dash Reporting is a new knowledge management interpretation of data is uniquely system which brings customised platform, which is part of an preserved and captured, with reporting to all users of the EVOQ integrated cheminformatics chemical context, so that liquid chromatography mass infrastructure that provides knowledge gained with every spectrometer (LC-MS) and the unified laboratory intelligence. experiment can be reviewed, re- SCION gas chromatography mass The Spectrus environment used, or re-processed instantly. spectrometer (GC-MS). This new standardises analytical data Spectrus provides LIMS-like existing informatics systems such capability centres on Dash Designer, processing, analysis, and sample submission and tracking, as ELNs and LIMS; providing a purpose-built application that knowledge management at the automation, and experiment greater value to the organisation enables customers to position and enterprise level and enables management. Integration will and its scientists. closely format report elements and scientists to extract answers augment the capabilities of www.acdlabs.com preview reports with relevant data. Bruker’s Pacer software is

20 | www.scientific-computing.com/lig2014 Informatics products | Laboratory informatics guide 2014

(PK/PD) modelling and non- compartmental analysis (NCA) Dotmatics has a new Dotmatics pharma, biotech and chemical software. The tools allow researchers Platform, which includes Studies companies, as well as academic to visualise and analyse their data Notebook and Browser. institutions and research centres. which is stored in a single file. Key Studies Notebook is a web- Browser, the powerful and features include a library of PK/ based electronic laboratory scalable query and reporting PD models, reusable workflow notebook that covers all scientific tool, allows users to search all designed to match the hardware templates and bioequivalence disciplines in a single set of fields within the Notebook. advances in the EVOQ liquid determination. tools, including chemistry and Through Browser, users can chromatography mass spectrometry Phoenix NLME is a data biology. In this latest release, federate and search data from (LC-MS) range. Pacer provides processing, modelling, and Studies Notebook incorporates multiple sources, independent of exception based data review to reporting product for population configurations for formulations the original database. significantly reduce the error rate for PK/PD analysis. Tools are provided and analytical/ad-hoc biological This release offers enhanced quantitative analysis, by enabling for creating preliminary plots, studies. security features for using the chromatograms to be reviewed by determining a base model, covariate Studies Notebook is designed system on your intranet, or on exception. analysis, developing a final model to enhance information sharing our cloud infrasructure. www.bruker.com and its evaluation. and improve productivity in www.dotmatics.com www.certara.com BSSN Software has released Seahorse Scientific Workbench, a ChemAxon has launched JChem decision-making by simplifying Freezerworks software is vendor-independent software suite for Office, which provides chemistry the capture and archive of vital designed for user configuration; for capturing, analysing and sharing functionality for MS Office users. instrument results files. this has been implemented with analytical data. It consolidates Building out from the JChem for www.CoreInformatics.com expanded configurability in version raw and result data from multiple Excel product, the product provides 6.0. Most notable are experimental techniques in a single productivity features including; CSols Laboratory Informatics improvements and greater tool, based on the emerging ASTM embedding live chemical structures Software and Services solutions capabilities in screen design and AnIML data standard. include links for LIMS, instrument layout, as well as in adapting the interfacing and integration software. shipping processes to the workflow AqcTools for QC statistical analysis of the biobank. and charting of AQCs /IQCs for www.freezerworks.com from existing files, supporting all improved monitoring, exceptions major common chemistry file types management and reporting of AQC IDBS provides E-WorkBook Suite, and copy and paste functionality. results, ensuring that analytical a single platform proven to increase The software can also be used to methods and instruments are operational efficiency through sketch and edit structures on the fly, performing optimally and within flexible management of research Seahorse Scientific Workbench directly in the original document regulatory requirements. and IP. It enables scientists and captures each step of a workflow and import structures and their They also offer the Remote researchers to more effectively create and presents it in its entirety. associated data directly from remote Sampler mobile application to and work in communities supported An intuitive navigation model corporate databases, or from other assist sampling and data capture in by trusted data. allows scientists to explore ChemAxon products like Instant remote locations, designed to help E-WorkBook platform includes experiments and samples, JChem. to eliminate transcription and data data management and workflow independent of the original vendor http://bit.ly/18Nak3S entry errors and guide samplers management. It improves data software. Visualisation, annotation in all routine activities. Optionally quality and compliance by and reporting features provide the Core Informatics provides LIMS, included are sat-nav software for enforcing business rules and necessary support. ELN and SDMS to customers across route guidance and GPS coordinate reducing transcription errors. This www.bssn-software.com R&D industries including: life recording for full chain of custody enables the user to move beyond science, food and beverage, clean trails. unstructured data capture and IP Certara’s D360 is used for the technology, molecular diagnostics www.csols.com/home.asp protection towards real-time data- query, analysis, and visualisation (MDx), genomics, energy, chemical, centric collaboration. of drug discovery and development petrochemical and environmental. Dataworks Development has E-WorkBook is available both via data. It can be used to analyse, and Core informatics products are announced the release of a major the web and as a desktop client to visualise existing data and entire configurable to match customers new upgrade, version 6.0, to its enable researchers to access, manage workflows can be saved as a ‘widget’ exact laboratory workflows Freezerworks Unlimited freezer and share their data from the lab, at to be shared or reused. and automation needs without inventory and sample management their desk or on the go. The platform Phoenix WinNonlin is a programming. software program. provides a secure, searchable pharmacokinetic/pharmacodynamic Core LIMS includes inventory repository of corporate knowledge. management, automated data www.idbs.com capture and reduction, dashboards and reporting, workflow KineMatik has launched version management and more. Core ELN 10 of its Electronic Lab Notebook, helps labs capture, analyse, manage which now includes full mobile and and share data to simplify the tablet device support. Intellectual transition to a ‘paperless’ system. property is protected with full audit Core SDMS accelerates scientific trails and 21 CFR 11 compliance. ➤

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➤ The KineMatik ELN offers one-click is aimed at labs conducting rapid publishing to automate the entire age testing and stability studies, Labvantage 6 enables process of publishing, approving, features include inventory to track companies to design their LIMS and witnessing the experiment, as consumables, expiration dates and without the need for a developer well as archiving the experiment for usage history, handhelds and tablets on staff. The system serves use in future research. to collect field readings then auto- customers of all sizes ranging LinkLab is a user configurable, upload to LIMS. LabLite CMT to from pharmaceuticals and laboratory solution that integrates track your calibration, maintenance consumer goods to molecular the KineMatik Electronic Laboratory and training schedules. All of these diagnostics and biobanking. Notebook with laboratory systems products can be used alone or Customers use Labvantage 6 such as instruments, LIMS, SDMS fully integrated depending upon to innovate the R&D cycle, and CDS. customer’s needs. improve product quality, www.kinematik.com www.lablite.com achieve accurate recordkeeping and comply with regulatory LabAnswer has produced multi-site LabWare’s ELN provides a familiar requirements. The software is also available as a cloud-based systems that perform tasks such spreadsheet style environment, is platform and technology is solution. Decision makers can as assessments, vendor/product providing the capability to mix packed with advanced features use Labvantages’s laboratory selections, architecture/design, spreadsheet and document style essential to daily laboratory intelligence capabilities to make configuration, system/instrument templates. The system can operate operations, it supports over decisions that reduce costs and integration, validation, training, in experiment driven, research hundreds of concurrent users, increase revenues. data load/migration, organisational environments and also provides a interfaces with instruments, and www.labvantage.com change management, deployment, method execution mode suitable and support outsourcing. They for QA/QC. The software provides deploy integrated systems instrument integration, flexible by anyone recording proprietary comprising of ERP, ELN/LES, LIMS, management of images and raw data data, (easy to use data management). SDMS, and CDS functionality. files and comprehensive operation The solution was produced with Aiming to provide strategic and auditing. FileMaker Developer database technical information from which LabWare ELN can be integrated software; it is also 21 CFR part informed investment decisions can with LabWare LIMS, delivering 11-compliant, a key feature for legal be made. LabAnswer’s experience a cost effective, advanced level of defence. with enterprise informatics solutions laboratory automation capability The software can be used on ensures the development of a with access to an extensive range of collection, processing, analysis, a PC, notebook or any Mac IOS scientific data management strategy application modules and integrated storage and distribution. product to create, search, and print that optimises application portfolios instrument data acquisition MBioLIMS is compatible with: data, which can be imaged to pdf, or while maximising value, increasing technology. MBioLABEL, a biological sample to paper for patent submission. The compliance, and achieving business www.labware.com identification solution for long-term attachment field can embed virtually objectives. storage, which includes labels, any file, including sophisticated www.LabAnswer.com Modul-Bio provides MBioLIMS barcode printers and scanners; and scans, tables, sound, and movies. A BioBanking, a flexible LIMS with eMBioBANK, a centralised page will also contain a body text LabLite LLC is a LIMS software dedicated to biobanks and cohorts bio-specimen inventory web portal field for scientific data; in addition company offering multiple products studies, which has been deployed for sharing bio-repositories’ sample to this NoteBookMaker can be setup including LabLite SQL LIMS, sucessfully at more than 100 sites. collections with researchers. in single-user or multi-user (peer to LabLite Process Control, LabLite CS, This 100 per cent web-based www.modul-bio.com peer, or client/server) LabLite Stability and LabLite CMT. software provides perfect traceabilty www.NoteBookMaker.com LabLite CS is used to track customer of biospecimens, from reception to NoteBookMaker is a legal calls and complaints from receipt to shipment. Its main functionalities notebook system for laboratory Qlucore’s first product, Qlucore resolution. LabLite Stability which include patient management, sample professionals but can also be used Gene Expression Explorer 1.0, is a software engine that visualises data in 3D and aids the user in The Edge software consultancy BioRails enables research identifying hidden structures and provides BioRails, an application scientists to capture experimental patterns. Major efforts have been suite designed for biologists and data and methodologies together made to develop a core software project teams. BioRails PTO is in a single system, enabling them engine that is extremely fast, an assay request and tracking to quickly analyse assay results allowing the user to interactively system used to enable project and refine study designs. and in real time instantly explore teams to track and optimise A key component of BioRails and analyse high-dimensional data progression of small molecules DM is Morphit, a spreadsheet sets with the use of a normal PC. and biotherapeutics drugs. technology for data analysis and The latest version, Qlucore Omics BioRails PTO enables scientists reporting. It includes support for Explorer 2.0, represents a major step to plan, and schedule their work, (DM) is a solution for capturing, curve fitting, non-compartmental forward with the added support for improve turnaround times and processing, analysing and modelling for PK and statistical hierarchical clustering, scatter plots remove bottlenecks. reporting in vitro and in vivo tests for in-vivo pharmacology. and powerful log function. BioRails Data Management biological data and workflows. www.edge-ka.com/products One of the early key methods used to visualise data is dynamic ➤

22 | www.scientific-computing.com/lig2014 13-14 May 2014 Amsterdam, The Netherlands Learn how to implement self-documenting processes Discover the enormous potential of paperless data management

Over 20 presentations and live demonstrations Free register* at Post congress training courses www.paperlesslabacademy.com Networking reception [email protected] Paperlesslab Academy

*Rules apply Laboratory informatics guide 2014 | Informatics products

➤ principal component analysis (PCA). Dynamic PCA is PCA The TIBCO Spotfire Analytics p analysis combined with instant latform allows users to uncover user response, a combination that insights hidden in data through provides an optimal way for users to intuitive visualisations, analytic visualise and analyse a large dataset dashboards, and applications. It by presenting a comprehensive view is used to reduce reliance on IT of the data set at the same time. and eliminate time related to data www.qlucore.com preparation, report building, and integration, BioAssay including a repository, allowing the search spreadsheet version control. library of standard protocols and Ruro is headquartered in and re-use of knowledge from E-notebook 2014 is the latest the upgrade toolkit. Maryland’s biotechnology corridor previous experiments. Full audit version of TIBCO’s electronic Ensemble is a solution for RURO develops computer software trail and access control for this data laboratory notebook, It is used the management of data and for research, biotechnological, is available, facilitating intellectual for capturing, recording and the integration of workflows; pharmaceutical, healthcare and property management analysing scientific data, the it features a number of tools government laboratories in the US www.siemens.be notebook is also integrated with including inventory, registration, and worldwide. RURO is a web Datalytix query tool used for ChemBioDraw a chemicial applications developer, combining QESTLab is Spectra QEST’s seamless data visualisations. drawing tool and iLAB, an LES world-class innovation and industry LIMS, specifically designed for Improved features include: designed specifically for QA/QC. experience so individuals can use the construction materials testing inventory and registration www.tibco.co.uk computer software in new ways and (CMT) industry. It is designed to places. improve efficiency and introduce Ruro has a fervent focus on the best practice in all areas of the oversight, data analysis, graphing, relevant and innovative software laboratory. The system can support reporting and data sharing. All technologies that address its centralised implementations and results and methods are digitised, customers’ needs, RURO strives to is a functionally broad system after stored securely and accessible where be the best at integrating world-class more than a decade of continuous and when you need them. technologies into all its products. improvement and adaptation in a www.studylog.com They aim to generate novel ideas and variety of markets. communicate with the prospective QESTLab’s reach can be extended Titian Software’s Mosaic is a users of our products to create truly to the field with the adoption sample management software the best innovative applications of the QESTField system which suite, providing management of tests, enter result data and produce which have no analogues on the is designed to run on portable, compounds, biological collections, output for sample pre-registration current software market. hand-held devices. Further, the reagents and standards. Designed at a laboratory. Both multi-user www.ruro.com QESTLab system integrates well to streamline sample inventory, Enterprise and single-user with Construction Hive, which is a tracking and ordering, in high- Desktop versions of TAPS are Siemens Electronic Lab Notebook web system for the management of throughput biotech and pharma available. (ELN) allows researchers to capture CMT results. laboratories, Mosaic provides a The product has been developed experiment data of any type in www.spectraqest.com solution to sample management through forging close working electronic format; it is also fully traceability and sample supply partnerships with a number of integrated with the lab, being Studylog Systems provides chain. companies that focus on water built on top of the Siemens LIMS. Studylog Animal Study Workflow As a modular software platform, sampling and environmental The software now offers a mobile Suite, which aims to automate Mosaic is scalable and provides monitoring to ensure the suitability platform that deploys all the assets animal study work-flow, from flexibility to support the sample of the product for compliance of modern tablets in a simple collaborative study design, data supply workflows for all sizes of life programmes. user interface and a central data acquisition, task scheduling & science organisations in industry www.trilogygroup.com/ and academia. The latest version tapssampleplanningscheduling.aspx of the software, Mosaic 5.0, also Thermo Scientific has permits extensive integration UNIConnect supply laboratory launched SampleManager capability with a range of automated process management software 11, a configurable version of stores and dispensing systems solutions for bio-molecular its laboratory information for maximum productivity and labs (MDx, CDx, OncoMDx, management system (LIMS). complete workflow management. Crop Science, Aquaculture and It features tools and workflow www.titian.co.uk Livestock). UNIConnect delivers capabilities that simplify software and professional services implementation, allowing The Trilogy Group provides TAPS for the dynamic requirements lab managers to model their the hands of users who can make (sample planning and scheduling), of those driving the science and processes in the LIMS. The logical choices about workflow, which enables companies and business of precision medicine LIMS workflow can automate instrument integration and consultants with environmental and agriculture. Aiming to provide the logical decisions, improving data reporting for management or sample collection field teams, to configuration flexibility, precise throughput by saving time and metrics or regulatory plan collections, create optimised tracking and process detail that is simplifying user interactions. requirements. sampler rounds, print bottle comprehensive from first sample to SampleManager 11 puts power in www.thermoscientific.com labels, estimate workload and cost, final report. conduct monitoring and on-site www.uniconnect.com

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Matej Kastelic/Shutterstock

Analysis on the go Mobile phones and software as a service are becoming popular technologies in the laboratory, as Robert Roe discovers

One of the biggest trends in or have to share parts of their own internal have a piece of middleware called Integration informatics is the move to integrate data-centres with competitors. Manager which allows integration of basically O mobile technology into the any end-point with our LIMS system’. This laboratory. The topic will feature repeatedly Mobile technology strategy enables users to develop functionality, on in presentations and round-table discussions Mobile technology presents its own technical top of the existing LIMS platform, tailored to at the Smartlab Exchange meeting in Munich challenges. Either discrete applications have their specific needs. in February 2014. to be created to take advantage of mobile Similarly, many laboratories are switching devices, or the existing system has to be Camera technology to use software as a service (SaaS). The first modified, for example, to enable the use of Mobile technologies can capture data better reason is to restrict spending on data-centres touch-screen devices. Informatics companies than conventional techniques in certain areas. and IT infrastructure especially for smaller have adopted different strategies for tackling The most effective and easiest to implement companies that cannot afford to have large the integration of mobile devices. Stuart are: QR codes; bar-code scanning; and the use installations for data analysis. SaaS provides Ward, product manager for IDBS’s ELN of cameras to photograph specific instances the opportunity to pay for these services product E-WorkBook, said: ‘We see mobile in the lab. Ward explains that very much when they become necessary, and removes devices as having specific apps for very like traditional ‘apps’, data-capture in the the need to house data centres with large discrete types of transactions, rather than laboratory is most effective for very specific maintenance and power costs. some sort of universal application like you things: ‘Using the camera as a bar-code The second reason for the adoption of an could deliver on a desktop or a laptop.’ scanner or a taking a picture of an event. SaaS model is so it can be used as a safe but In contrast, Seamus Mac Conaonaigh, They lend themselves to specific types of temporary collaboration infrastructure – director of technology at Thermo Fisher, data’. Mobile technology is not going to several companies can share a zone external said: ‘Our approach is really to extend our replace all the traditional methods of data to their firewall where collaboration can take applications to allow mobile use, rather than capture. ‘You’re not going to have someone place but without risking their intellectual to develop single-use mobile applications.’ on a mobile device typing in 10,000 data- property. This service can then be switched He went on to explain how the company’s points, it’s just not going to work,’ he off once the collaboration is over, meaning software can enable the use of mobile-devices continued. that the companies do not incur extra costs within the existing LIMS infrastructure. ‘We One problem is simply the lack of

26 | www.scientific-computing.com/lig2014 MOBILE ANALYSIS | Laboratory informatics guide 2014 convenient keyboards when using tablet or have been done on paper, but applications maybe you have got that molecule.’ There are phone-like devices. Similarly, browsing large can now be used to accomplish this on a other examples of the use of mobile devices to amounts of data or conventional spreadsheets mobile device. review data captured in the laboratory. Wise are unlikely with the current technology in Stephen Gallagher, CEO of Dotmatics, said: ‘If you wanted to check the status of an mobile devices. Scott Weiss, IDBS director said: ‘We have implemented a feature in ongoing experiment then perhaps the mobile of product strategy, explains: ‘Just trying our chemical drawing app, Elemental, that device would allow you to check.’ He was to shrink them [big data sets] down to a enables the scientist to draw or annotate talking hypothetically – but this technology mobile device and trying to cram all that has already been implemented, according functionality into a touch-screen – it’s not just The inherent mobility of hand-held to Thermo Fisher’s Mac Conaonaigh. The a technical challenge, there’s an ergonomics devices means that these types of company’s Data Manager module can be challenge with the way you interact with that.’ activities, which used to create a connected to chemical analysis instruments, Seamus Mac Conaonaigh, from Thermo for example chromatography. The software Fisher, highlighted how bar-code scanners bottleneck in the workflow, can now collects the data, which can then be on mobile devices have already been be carried out more efficiently viewed using traditional workstation-based implemented in a loading-dock scenario. computers or a hand-held device. Taking the ‘Historically, this was done with something a compound or reaction on their phone raw data from the instrument, rather than like a bar-code reader attached to a or mobile device, and automatically push a jpeg or pdf, means that a higher fidelity is workstation, which is not very mobile,’ he it to their Studies Notebook, Dotmatics’ obtained. continued. With mobile devices, in contrast: electronic laboratory notebook.’ Wise went Mc Conaonaigh highlights the advantages: ‘You can have the person who’s receiving on to say how this type of procedure could ‘On an iPad, you can connect to one of our the goods just basically walking around be enhanced, ‘by connecting to the corporate applications and you can get at the original and scanning all the items no matter where chemical database and finding out that raw data. So if it’s a chromatograph you can ➤ they are, rather than bringing the items to a single location.’ This information is then automatically transferred to the LIMS or similar system. The inherent mobility of hand-held devices means that these types of activities, which used to create a bottleneck

in the workflow, can now be carried out more Thermo Scientific Fisher efficiently. Barcode scanning, combined with the GPS included in many smartphones, can make environmental sampling in the field more efficient. Mac Conaonaigh explained: ‘Previously you would need several pieces of equipment to do this type of thing. Your water-testing person just goes to a location – be it a river or lake – and scans the barcode that’s already attached to the test-tube, fills the test tube, bottles it up, enters the record and then its immediately transmitted to the LIMS, so they have the complete chain of custody of where this sample was captured’. This kind of sampling eliminates transcription errors and makes the validation process easier, as the system automatically records the GPS data.

Reviewing data Another key area for the integration of mobile technologies is to review the data that has been analysed. John Wise, executive director of the Pistoia Alliance, gave an example of data review out of the laboratory environment where two scientists may discuss how a chemical compound could be modified to aid targeting to a specific area for medicinal purposes. Traditionally this would Mobile data access allows users to search and access laboratory data from any device

www.scientific-computing.com/lig2013 | 27 Laboratory informatics guide 2014 | MOBILE ANALYSIS

do, and it is going to take a month or more using your single server that you have sitting in your lab, you can certainly leverage SaaS infrastructure.’ He continued: ‘Just set up 30 instances, instead of your single instance: you get your results much faster and it doesn’t cost you anymore because you’re only running it for a fraction of the time and you only pay for what you use.’

Collaboration infrastructure (SaaS) The case for SaaS is not restricted to just budgetary control, however. Its other advantage is as a collaboration infrastructure. It provides a tool for companies to share information in a safe environment without IP concerns classically associated with moving sensitive information outside the firewall, or allowing people from outside the organisation to access information inside the firewall for a ➤ view the overall output and you can zoom operating on a simple device that is relatively particular collaboration project. in to view all the original peaks.’ He pointed cheap, and you put your money into the Weiss outlined the concerns he has out: ‘Frequently, you can have a situation server that’s actually doing the analysis, you experienced from customers with existing where there is a very visible artefact at the have essentially got the analysis occurring collaboration methods: ‘We can create a space gross level, which is actually just noise from in an environment that you as a business, in your system and give your collaborators the instrument, and then when you zoom in paying for it, have much more control over.’ access to it. You open up the firewall and you actually see what you wanted to see – the ports – and that kind of makes them which may be in a totally different place. The Budgetary controls (SaaS) (customers) nervous.’ He explained why pdf won’t show that type of thing.’ Some data can be dealt with over mobile the SaaS model was such an attractive When implemented for mobile devices as devices, but large data sets are becoming well as traditional workstations, the software more frequent and their analysis presents Some data can be dealt with does not require the scientist to be in the particular problems, especially for smaller over mobile devices, but large data laboratory. Now this review can be done companies. This issue has led to the sets are becoming more anywhere as long as the device being used development of a second technology trend is connected to the internet and thus a web- in the informatics field. SaaS is an exciting frequent and their analysis presents based client. The device can also be notified prospect for many smaller companies as it particular problems when the instrument is finished with the can provide a high level of computing power experiment. for the analysis of large data sets, on a ‘pay proposition especially for sensitive industries as you go’ basis. This removes the financial like pharmaceuticals: ‘The ability to spin up The risks of mobile devices burden of installing large data-centres. Ward these open public spaces that are managed The integration of mobile devices has risks, explains: ‘I think the attraction on paper by your vendor, that allow people to safely mainly those associated with the loss of a for many organisations to move to a SaaS collaborate and share content, but also allow company’s data, but this has not stopped the model is budgetary control, in so much as “I you to extract that content back into your adoption of the technology. This is because don’t have to think now about setting up the own infrastructure when you see fit.’ many of these risks have been associated infrastructure, buying servers, maintaining Dotmatics’ Gallagher has experienced with similar devices used by company the servers, dealing with upgrades” so there similar requests for SaaS to promote personnel for a number of years. Mac are clearly potential cost-savings from just innovative collaboration. He said: ‘We have Conaonaigh points out: ‘There is still a risk management of those kind of complex seen a trend whereby many large pharma with mobile devices, but there has been for systems.’ and chemical organisations with important a long time with laptops anyway.’ He went Although the main advantage for internal IT infrastructure, chose to extend it on to say: ‘You can sandbox anything that’s companies using SaaS may be the with SaaS systems that enable them to work to do with the enterprise, and if the device is management of the IT infrastructure, there seamlessly with collaborators across the lost or stolen then the IT organisation within are other advantages to using the model, world.’ the enterprise can remotely wipe that’. such as being able to access large amounts of He added: ‘Not only does the SaaS model With the ability to remotely wipe sensitive computing power at times when the workload provide a safe framework to exchange data from mobile devices, the perceived risks for analysis increases. Mac Conaonaigh data between organisations, but it enables can actually work as an advantage. Ward gives an example: ‘So if you’re in a situation true collaborative research with real-time stressed this aspect: ‘If you can have this all where you have a huge amount of analysis to knowledge sharing between researchers.’ l

28 | www.scientific-computing.com/lig2014

Laboratory informatics guide 2014 | Directory of suppliers Directory of suppliers A comprehensive list of suppliers, consultants and integrators

3rd Millenium Inc Adifo N.V. AgileBio SARL ASM Soft www.3rdmill.com www.adifo.be www.labcollector.com www.asm.es

AAC Infotray AG Advanced Technology Agilent Technologies Assaynet Inc www.limsophy.com Corportation www.agilent.com www.assaynet.com www.vetstar.com Accelerated Technology Agilent Technologies AssurX Inc Laboratories Inc Advanced Technical Software France www.assurx.com www.atlab.com www.ats-vienna.com www.agilent.com Astrix Technology Group AcquiData, Inc. Agaram Instruments www.astrixtechgroup.com AJ Blomesystem www.acquidata.com www.agaramindia.com www.aj-blomesystem.com Asystance www.asystance.nl Accelrys, Inc. AllMax Software Inc 5005 Wateridge Vista Drive, www.allmaxsoftware.com Aurora Systems Inc San Diego, CA 92121, USA Tel: +1 858 799 5000 www.visualab.com Ambidata Fax: +1 858 799 5100 [email protected] l www.accelrys.com www.labway-lims.com Automated Systems Inc www.automatedsys.com Accelrys, a leading scientific enterprise R&D software and services Amphora Research Systems company, has more than 1,300 customers in the pharmaceutical, Ltd Automation & Validation biotechnology, energy, chemicals, aerospace, consumer packaged goods and industrial products industries. Through its Enterprise R&D eln.bz/scw12 Solutions (AVS) Inc Architecture, Accelrys enables scientific innovators to access, organise, www.avs3.com analyse and share data in unprecedented ways, enhancing innovation, Analytical Information improving productivity and compliance, reducing costs and speeding Systems Ltd Automsoft time from lab to market. www.ais-lims.com www.automsoft.com

ACD/Labs (Advanced Chemistry Developments, Inc) Autoscribe Limited 8 King Street East, Suite 107 Wellington House, Toronto, ON. M5C 1B5 Riseley Business Park, Canada Basingstoke Road, Tel: +1 (416) 368 3435 Riseley, Berkshire RG7 1NW, UK Fax: +1 (416) 368 5596 Tel: +44 (0) 118 984 0610 [email protected] l www.acdlabs.com Fax: +44 (0) 118 984 0611 www.autoscribeinformatics.com ACD/Labs’ off-the-shelf enterprise and desktop knowledge management software solution preserves the chemical context Comprehensive and genuine configurability, without resorting to writing of spectral and chromatographic interpretations, turning data into custom code or using a programming script, is a rare commodity in the knowledge; and enables sharing of live projects that can be reanalysed LIMS business, but it is the key to a successful LIMS implementation. and re-used. This unique multi-technique, multi-vendor analytical and Autoscribe is a world leader in the development and supply of chemical data management platform seamlessly integrates into your genuinely configurable software solutions for LIMS, tracking and quality cheminformatics environment and empowers collaborative science. management applications.

30 | www.scientific-computing.com/lig2014 Directory of suppliers | Laboratory informatics guide 2014

Baytek International Blaze Systems Corporation www.baytekinternational.com www.blazesystems.com

Baze Technology AS Bridge- Soft www.bazetechnology.com www.bridge-soft.com

BCM Corporation Broughton Laboratories Ltd www.bcmcorporation.com www.broughtonlaboratories.co.uk

Beyontics BSSN Software www.beyontics.com www.bssn-software.de

Bibby Scientific Bytewize AB-o3Lims www.bibby-scientific.com www.o3lims.com

Bika Lab Systems Caliber Technologies Pvt. Ltd. www.bikalabs.com www.caliberindia.com

Biomax Informatics AG CAQ AG Tyler Olson/Shutterstock Tyler www.biomax.com www.caq.de

BioMedion Europe Cerno Bioscience www.biomedion.com www.cernobioscience.com ChemSW Common Cents Systems BizzApps Cheminnovation www.chemsw.com www.apollolims.com www.bizzapps.com www.cheminnovation.com Chemtech Computer Sciences www.chemtech.com.br Corporation (CSC) BSI Systems/Information www.csc.com Management Services, Inc. Chemware Automated Computing Solutions Inc 3901 Calverton Blvd, Laboratory Solutions www.labsoftlims.com #200, Calverton, Maryland, www.chemware.com MD 20705, USA Tel: +1 (301)680-9770 Chromasoft GmbH Core Informatics Fax:301-680-8304 www.coreinformatics.com [email protected] l www.bsisystems.com www.chromasoft.de Cresset Group Your complete specimen management solution. BSI is a powerful Cimarron Software Inc www.cresset-group.com software system for biospecimen management that can be customized www.cimsoft.com to meet your needs.BSI provides specimen, freezer, shipment and workflow management in a validated secure software environment. CSols ltd CIMCON Software Inc. Compare BSI’s features and costs and see why we are the best choice! www.csols.com www.part11solutions.com CSS Dresden CimQuest-Vantage www.cssdresden.de BSSN Software www.cqv-llc.com Robert-Bosch-Str. 7 64293 Darmstadt Da Vinci Europe laboratory Clarkston Group Germany solutions B.V. Tel: +49 6151 785 37 0 www.clarkstongroup.com www.davincieurope.com Fax: +49 6151 785 37 20 [email protected] l www.bssn-software.com Clinical Systems Ltd Data Unlimited International Inc www.clinical-systems.co.uk www.duii.com Our vendor-neutral software allows viewing, aggregating, and sharing laboratory data from many disciplines. It is built on the emerging AnIML XML data standard, and integrates with instruments, LIMS and ELN. Our CLONDIAG GmbH Dataworks Development Contract Research Manager software streamlines the interaction with www.clondiag.com www.freezerworks.com internal and external partners (CROs). Bioprocess Manager enables productive bioprocess development. Coda Corp USA DeltaSoft, Inc www.codacorpusa.com www.deltasoftinc.com

www.scientific-computing.com/lig2014 | 31 Laboratory informatics guide 2014 | Directory of suppliers

Dotmatics The Edge Software Consultancy Ltd The Old Monastery, Suite2, 77 Walnut Tree Close Windhill, Guildford, Surrey Bishops Stortford GU1 4UH Hertfordshire CM23 2ND Tel: +44 (0)2380411098 Tel: +44 (0) 1279 654123 [email protected] Fax: +44 (0) 1279 653 088 www.edge-ka.com www.dotmatics.com Scientists from disciplines such as ADME, DMPK, Pharmacology and Dotmatics has rapidly emerged as the preferred informatics supplier Screening all rely on the BioRails platform to improve productivity, to the world’s largest Pharmaceutical, Biotechnology, Chemical and protect IP and manage data. The Edge’s unique combination Academic organisations. The Dotmatics Enterprise Platform is a of software, content and services delivers a highly effective scalable and high quality informatics system. Dotmatics web-based collaborative environment for project teams, assay laboratories and knowledge solutions transform the way in which scientific data is contract research organizations to improve efficiency, transparency queried, managed, analysed and shared within organisations. and data quality. dialog EDV enso Software GmbH FLSmidth Automation IBS AG Systementwicklung GmbH www.enso-software.com www.flsmidth.com www.ibs-ag.de www.dialims.de entimo AG Future Technologies Illumina Cambridge Digital Applications www.entimo.com www.ftechi.com www.illumina.com International www.dai-group.com eOrganized World GenoLogics Life Sciences IMR Technologies LLC www.eorganizedworld.com Software www.imrtest.com DORNER GmbH & Co. KG www.genologics.com/products Inflection Point Solutions www.dorner.de EthoSoft, Inc. www.ipsdelivers.com www.ethosoft.com GXPi Dynamic Databases www.gxpi.com Infomed CS www.dynamicdatabases.com Eusoft GUS Group www.infomed.gr www.eusoft.it www.gus-group.com eBioSys Pty Ltd Infor Global Solutions www.ebiosys.com Evernote Corp. GyroDimensions Inc www.infor.com www.evernote.com www.gyrodimensions.com Edge Software Information Management EZQuant Ltd. Consultancy Ltd H M Software Services (IMS), Inc. www.edge-ka.com www.ezquant.com www.hm-software.de www.imsweb.com

EISC Feltham Associates Hach Infotrieve www.eisc.net www.fal.org.uk www.hach.com www.infotrieve.de

Elm Tree Systems Fkon Consulting iAdvantage Software Interpec Corporation www.elmtreesystem.com www.fkon.de www.iadvantagesoftware.com www.interpec.com

Eusoft srl iCD. Vertriebs GmbH M. Partipilo 38, 70124 Bari, Italy Augustinusstr. 9d Tel: +39 080 5426799 50226 Frechen, Germany Fax: +39 080 5508740 Tel: +49 2234 966 34 0 Fax: +49 2234 966 34 90 [email protected] l ww.eusoft.it [email protected] l www.icd.eu

Eusoft, since 1997,is a leading company that is specialized in creating software iCD is an ISO certified software firm and specialised in providing of for the management of testing laboratories (Laboratory Information Management innovative and complete laboratory software solutions with associated top- System), in order to comply with the quality standards such as ISO/IEC 17025, level consulting and first-class support services to laboratories of different ISO 9001 and FDA 21 CFR part 11. Design, development and maintenance of industry sectors since 1986. More than 300 companies worldwide rely the Eusoft.Lab LIMS have always been the core business of Eusoft. Eusoft. on our core products the multi-functional and multi-purpose Enterprise Lab 10 is a real “cloudy ready” LIMS and one of the few in the world. Eusoft.Lab LIMS platform LABS/Q, the SAP Middleware LABS/QM for interfacing of 10 is available both on premises and as Saas (Software as a service) on cloud any analytical instrument to SAP QM, and VALIDAT as the world-leading computing platforms. With Eusoft.Lab LIMS in Cloud you can reduce start up software tool for validation of analytical methods. We further improved our time and speed up ROI, access to services at all times and in all places, have portfolio with Agilent’s OpenLAB ECM SDMS, ELN and CDS, to provide the the lastest update version, high scalability and highest data protection. always ideal and complete laboratory software solution to our customers.

32 | www.scientific-computing.com/lig2014 Capitalize on your R&D potential Capitalize on your R&D potential SIMATIC IT R&D Suite SIMATIC IT R&D Suite SIMATICwww.siemens.com/simatic-it IT R&D Suite www.siemens.com/simatic-it www.siemens.com/simatic-it

By offering innovative products onto the market, fast and at a • LIMS fairBy offering price, manufacturers innovative products can gain onto a true the competitivemarket, fast edgeand at that a • LIMS • ELN createsfair price, the manufacturers necessary revenue can gain to fuel a true further competitive innovation. edge that By offering innovative products onto the market, fast and at a • LIMSELN creates the necessary revenue to fuel further innovation. • Specification Management fairOnly price, when manufacturers a company is ablecan gainto secure a true a competitiveleadership position edge that • ELNSpecification Management createsinOnly this when way, the anecessaryis company it able to revenue iscreate able to ato platformsecure fuel further a forleadership sustainable innovation. position profit - • Formula Workbench abilityin this neededway, is it to able invest to createin fundamental a platform research. for sustainable profit- • SpecificationFormula Workbench Management Onlyability when needed a company to invest is in able fundamental to secure aresearch. leadership position • Recipe Management inInnovation this way, andis it manufacturingable to create a efficiency platform foris the sustainable key to success. profit- • FormulaRecipe Management Workbench • Supplier Collaboration abilityInnovation needed and to manufacturing invest in fundamental efficiency research. is the key to success. • RecipeSupplier Management Collaboration • Regulatory Data Generation Innovationwww.siemens.com/industrial-it/lims and manufacturing efficiency is the key to success. www.siemens.com/industrial-it/lims • SupplierRegulatory Collaboration Data Generation www.siemens.com/industrial-it/rd • Project Data Management www.siemens.com/industrial-it/limswww.siemens.com/industrial-it/rd • RegulatoryProject Data Data Management Generation www.siemens.com/industrial-it/rd • Project Data Management Answers for industry. Answers for industry. Answers for industry.

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A4.indd 1 06/11/2012 10.53.38 Laboratory informatics guide 2014 | Directory of suppliers

IDBS LabLogic Systems Limited 2 Occam Court, Paradigm House Surrey Research Park, 3 Melbourne Avenue Guildford, Surrey, GU2 7QB, UK Broomhill, Sheffield Tel: +44 (0)1483 595000 S10 2QJ, UK Fax: +44 (0)1483 595001 Tel: +44 (0)114 266 7267 Fax: +44 (0)114 266 3944 [email protected] l www.idbs.com [email protected] l www.lablogic.com Our software improves efficiency, collaboration and innovation across R&D. The world’s leading organisations rely on our enterprise LabLogic is a market leader in the supply of LIMS and chromatography platform and applications to generate, share and secure their valuable data systems to the pharmaceutical, agrochemical and nuclear/PET information assets. It has never been more important to simplify IT industries. Key systems include Debra for ADME metabolism studies infrastructure, improve personal productivity and make data driven and PETra for PET radiopharmaceutical production. Our products help decisions. our customers accelerate their research, providing quality data using industry standard solutions.

IMCOR GmbH LabWare Turnackerstr. 62/1 Denzell Lodge, 70794 Filderstadt, Altrincham, Cheshire, Germany WA14 4QE Tel: +49 (0)711 7089 003 Tel: +44 (0)161 927 5600 Fax: +49 (0)711 7089 004 Fax: +44 (0)161 927 5601 [email protected] l www.imcor.de [email protected] l www.labware.com

LabWare provide a full-featured enterprise laboratory platform IMCOR is a specialised consulting company with a focus in IT applications for laboratories. Its services are tailored according to the incorporating LabWare LIMS and ELN. LabWare LIMS is supplied with customer’s needs, e.g. vendor-independent consulting for LIMS and an extensive range of application modules and integrated instrument related products, development of user requirement specifications, data acquisition delivering real value and business advantage. LabWare system selection or laboratory workflow analysis and optimisation to focuses on customer success, providing a global support and services prepare for a successful system implementation. network backed by some of the most experienced LIMS professionals in the world.

ItemTracker (UK) Ltd Labkey LABVANTAGE Solutions www.itemtracker.co.uk www.labkey.com 265 Davidson Avenue, Suite 220, Somerset, iVention Lablite LLC NJ 08873, USA www.ivention.nl www.lablite.com US Toll Free: (888) 346-5467 Tel: +1 (908) 707-4100 www.labvantage.com/contact l www.labvantage.com

J & R Consulting Inc LabLogic Systems Ltd Headquartered in Somerset, NJ, LABVANTAGE offers a comprehensive www.jandrconsult.com www.lablogic.com portfolio of laboratory products and services, including LIMS, quality ELN, business intelligence, legacy system migration, global laboratory harmonization, and laboratory business intelligence derived from disparate JusticeTrax Inc LabLynx Inc sites and systems. Our industry-leading solutions and world-class services www.justicetrax.com www.lablynx.com are based on 30+ years of laboratory informatics know-how, leveraged with state of the art technology to redefine and optimize how laboratories conduct business. With a proven track record of delivering ROI, we drive the success JW Consulting Laboratory Systems Consulting of your business with best technical and domain expertise available. www.jwconsulting.eu www.lims.ie

Khemia Software Inc LabPlus Technologies LabVantage Solutions inc Medidata Solutions Worldwide www.khemia.com www.labplustech.com www.labvantage.com www.mdsol.com

KineMatik LABTrack, LLC Ltech Australia Pty Mettler Toledo www.kinematik.com www.labtrack.com www.lims1.com www.mt.com

LabAnswer LabPro 2000 Limited MAQSIMA GmbH Mikon AS www.labanswer.com www.labpro2000.com www.maqsima.de www.mikon.ro

LabArchives Labs Division Grupo Same. MasterControl Inc. Modul-bio www.labarchives.com www.gruposame.com www.mastercontrol.com www.modul-bio.com

LabCentrix LLC Labtronics Inc McDowall Consulting Mountain States Consulting LLC www.labcentrix.com www.labtronics.com www.rdmcdowall.com www.msc-lims.com

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PerkinElmer 940 Winter Street Waltham, MA 02451, USA Tel: +1 (781) 663-6900 [email protected] www.perkinelmer.com/informatics

PerkinElmer Informatics delivers software and services globally for research, discovery, analysis and collaboration across multiple industries including biopharmaceutical, food and chemical industries, academia and government. PerkinElmer’s Ensemble platform, now with TIBCO Spotfire®, supports crucial informatics research and development activities. Products include ChemBioOffice®, ChemDraw®, E-Notebook and LES systems for knowledge management and integrated laboratory systems. Borzywoj/Shutterstock

Modul-Bio Optibrium Progeny Software, LLC 163 avenue de Luminy - Case 935, www.optibrium.com www.progenygenetics.com Parc Scientifique Luminy Biotech II, 13288 Marseille cedex 09, Orga Lab GmbH Promadis France www.orgalab.de www.promadis.com Tel: +33 4 91 82 82 50 [email protected] l www.modul-bio.com Orsyx Ltd Promium MBioLIMS® BioBanking is a flexible LIMS dedicated to biobanks and www.orsyx.com www.promium.com cohorts studies. This 100% web-based software solution provides perfect traceabilty of Pardus d.o.o. Quattro Research biospecimen from reception to shipment. Main functionalities include www.pardus.hr www.quattro-research.com patient management, sample collection, processing, analysis, storage, distribution and more. Perseid Software Ltd RDS Northeast www.perseidsoftware.com www.rds-nordest.it

Moxie Informatics Obtibrium PlantVision Rescentris www.moxieinformatics.com www.optibrium.com www.plantvision.se www.rescentris.com

Northwest Analytics Ocimum Biosolutions Polisystem Informatica S.r.l. RJ Lee Solutions www.nwasoft.com www.ocimumbio.com www.polinfo.it www.rjls.com

NoteBookMaker, LLC Odysis SA Poplar Solutions LLC Ruro www.notebookmaker.com www.odysis.com www.lab-core.com www.ruro.com

Novatek International Online LIMS Canada Ltd Porter Lee Corporation Sapio Sciences www.ntint.com www.online-lims.com www.porterlee.com www.sapiosciences.com

NXG Group Open.Co S.r.l. Process Solutions Canada Ltd scarabTEC GmbH www.nxggroup.com www.openco.it www.pscl.com www.scarabtec.com

Osthus GmbH quattro research GmbH Eisenbahnweg 9-11 Am Klopferspitz 19 D-52068 Aachen 82152 Martinsried Tel: +49(0)241 94314-0 Germany Fax: +49(0)241 94314-19 Tel: +49 (0)89 990 1629 0 [email protected] [email protected] l www.quattro-research.com www.osthus.com Software Solutions for Life Science and Chemistry Osthus is a leading global systems integrator specializing in process Business analysis and consulting, data management and integration, and data integration for R&D in life sciences and related industries. data warehousing, electronic lab notebook, etc. We offer complete application life cycle support with consulting, development, integration, operations and maintenance services to We provide either tailoring of our standard products or completely new leading companies world-wide. By using our partner portfolio and own developments. We help to build new solutions, assist in optimizing and components we deliver innovative, reliable and cost saving projects for integrating existing systems and offer maintenance for the whole life ELN, LIMS, R&D data warehousing and ECM business solutions. cycle of your data management system.

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Thermo Fisher Scientific 1 Saint George’s Court Thermo Scientific SampleManager 11 LIMS Altrincham Business Park, Altrincham WA14 5TP, UK Tel: +44 (0)161 942 3000 l Fax: +44 (0)161 942 3001 [email protected] Put Control in the Hands of your LIMS Users and Transform Your Business www.thermoscientific.com/informatics

Thermo Fisher Scientific is the worldwide leader in laboratory software and related services, providing enterprise-wide multi-laboratory solutions that have become the corporate standard at leading organisations. The company’s Thermo Scientific LIMS, CDS, ELN and document management systems are facilitating laboratory data in the world’s leading To enable today’s laboratories to be more flexible, efficient and compliant pharmaceutical companies, petrochemical, and other major industries. To support its global installations, the company provides implementation, validations, training, maintenance, and support from the industry’s largest than ever, software must empower users and demonstrably improve worldwide informatics services network. productivity across a connected enterprise.

Spectra QEST Australia Pty Ltd Tripos International www.spectraqest.com.au www.tripos.com The hardest working LIMS in the industry now STaCS DNA, Inc. Two Fold Software has advanced new tools and user-interface www.stacsdna.comThermowww.twofold-software.com Scientificenhancements SampleManager that improve laboratory process 11 LIMS mapping management and automation. UNIConnect LC Starlims www.uniconnect.com www.starlims.comPut Control in the Hands of SampleManager your 11LIMS puts decision-making Users power and Transform Your Business where it belongs, in the hands of users who can United Bioinformatica Inc. Stone Bond Technologies (UBI) make logical choices about workflow, instrument www.stonebond.com www.ubi.ca integration and data reporting for management metrics or regulatory requirements. Studylog Systems, Inc. up to data professional

Wavebreakmedia/Shutterstock www.studylog.com services GmbH Workflow capabilities simplify implementation, www.uptodata.com allowing lab managers to easily model their Satyam Computer Services Ltd Sofcom (Private) Limited www.satyam.com www.sofcom.net Sylab Mediterranee procesessThermo in SampleManager. Scientific As laboratory SampleManager 11 LIMS How do we deliver the safest product on a global www.sylabinternational.com Validation Systems Inc needs evolve, workflows can be modified to www.validationsystems.com Sciformatixbasis — using standardizedSofttrace pro Ltdcesses , meeting Putchange withControl them. in the Hands of your LIMS Users and Transform Your Business www.sciformatix.com www.soft-trace.com T&P Triestram und Partner GmbH regulatory guidelines, ensuring worker safety www.t-p.com Velquest Corp Scimcon and monitoring qualitSoftwarey throug Pointh the entire www.velquest.com SampleManager 11 At a Glance: www.scimcon.comsupply chain? www.softwarepoint.com TAL Technologies www.taltech.com Vertere • Configurable workflow and extended lifecycle Segalstad Consulting AS Softwaresysteme Keeve GmbH www.vertere.com features www.limsconsultant.comHow do we employ thewww.keeve.de most sustainable Techware Incorporated How do we deliver the safest product on a global • Simplified Sample Login user interface provid- www.techwareinc.com Waters Corporation processes in our business — reducing energy basis — using standardized processes, meeting Sibio Sparta Systems, Inc. www.waters.com ing easy access to frequently used functions regulatory guidelines, ensuring worker safety www.sibio.frusage, reducing wastewww.spartasystems.com and employing more Teranode Corp • Flexibility in splitting and merging aliquots automation? www.teranode.com and monitorWavefronting qualit Softwarey through the entire supplywww.wavefrontsoftware.com chain? and samples Siemens Textco BioSoftware Inc • User-Friendly Search Syntax, new Internet DemeurslaanHow do 132, we do all this and still remain protable www.textco.com How doWerum we employ Soft theware most & sustainable 1654 Huizingen, Explorer® features and improved support for processesSystems in our businessAG — reducing energy Belgium— making better use of all our resources, having Timeless Medical Systems Windows® 7 and 8 For more information about SampleManager 11, usage, www.werum.comreducing waste and employing more Tel: +32 2 536 2111 www.timelessmedical.com Fax: +32mor 2 e536 harmonized 4350 processes, mitigating risks automation? • Files, web links and attachments for any entity please visit us at www.thermoscientific.com/SM11 [email protected] continuously looking for process improve- White Point Systems, Inc. available for inclusion in reports or email us at [email protected] www.siemens.com/industrial-it/rd Titian Software www.whitepointsystems.com ments? www.titian.co.uk How do we do all this and still remain protable SIMATIC IT R&D Suite is a scalable software platform to cover all R&D — making better use of all our resources, having Xenco activities. It includes functionality for project management, formula and Tracking Solutions, Inc. more harmonized processes, mitigating risks packaging development, trial and experiment management, production www.trackingsolutionsinc.comwhile cowww.xenco.comntinuously looking for process improve- process design, electronic notebooks, quality control, laboratory INFO Technical Information Bulletins | Videos | Press & Articles | Case Studies management, specification management, batch and inventory ments? management, and pilot plant manufacturing. TraxStar Technologies, LLC Xyntek, Inc. www.traxstar.com www.xyntekinc.com Visit www.thermoscientific.com/samplemanager10IN orFO ContactTechnical us: mark Informationeting.informatics@thermofisher Bulletins | Videos | Press & Articles .com| Case Studies 38 | www.scientific-computing.com/lig2014 Visit www.thermoscientific.com/samplemanager10 or Contact us: [email protected]

SM11_Digi SCW.indd 1 11/4/13 9:56 AM Thermo Scientific SampleManager 11 LIMS Put Control in the Hands of your LIMS Users and Transform Your Business

To enable today’s laboratories to be more flexible, efficient and compliant than ever, software must empower users and demonstrably improve productivity across a connected enterprise.

The hardest working LIMS in the industry now has advanced new tools and user-interface Thermo Scientificenhancements SampleManager that improve laboratory process 11 LIMS mapping management and automation. Put Control in the Hands of SampleManager your 11LIMS puts decision-making Users power and Transform Your Business where it belongs, in the hands of users who can make logical choices about workflow, instrument integration and data reporting for management metrics or regulatory requirements. Workflow capabilities simplify implementation, allowing lab managers to easily model their procesessThermo in SampleManager. Scientific As laboratory SampleManager 11 LIMS How do we deliver the safest product on a global needs evolve, workflows can be modified to basis — using standardized processes, meeting Putchange withControl them. in the Hands of your LIMS Users and Transform Your Business regulatory guidelines, ensuring worker safety and monitoring quality through the entire SampleManager 11 At a Glance: supply chain? • Configurable workflow and extended lifecycle features How do we employ the most sustainable How do we deliver the safest product on a global • Simplified Sample Login user interface provid- processes in our business — reducing energy basis — using standardized processes, meeting ing easy access to frequently used functions regulatory guidelines, ensuring worker safety usage, reducing waste and employing more • Flexibility in splitting and merging aliquots automation? and monitoring quality through the entire supply chain? and samples • User-Friendly Search Syntax, new Internet How do we do all this and still remain protable How do we employ the most sustainable Explorer® features and improved support for — making better use of all our resources, having processes in our business — reducing energy Windows® 7 and 8 For more information about SampleManager 11, usage, reducing waste and employing more more harmonized processes, mitigating risks automation? • Files, web links and attachments for any entity please visit us at www.thermoscientific.com/SM11 while continuously looking for process improve- available for inclusion in reports or email us at [email protected] ments? How do we do all this and still remain protable — making better use of all our resources, having more harmonized processes, mitigating risks while continuously looking for process improve- INFO Technical Information Bulletins | Videos | Press & Articles | Case Studies ments?

Visit www.thermoscientific.com/samplemanager10IN orFO ContactTechnical us: mark Informationeting.informatics@thermofisher Bulletins | Videos | Press & Articles .com| Case Studies

Visit www.thermoscientific.com/samplemanager10 or Contact us: [email protected]

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