JOB DESCRIPTION

Job Title: Cheminformatics Data Scientist

Salary Band: TBC

Reports to: Discovery Science Team Leader

SUMMARY OF THE ROLE

We are seeking a creative and highly-motivated Cheminformatics Data Scientist to join the CCDC’s Discovery Science team to support our Cheminformatics research and development of new methods and tools. The successful applicant will join the team in Cambridge, UK.

MAIN DUTIES AND RESPONSIBILITIES

Main responsibilities

• Obtain and maintain the required levels of scientific knowledge and expertise in CCDC’s products to be able to effectively perform the assigned scientific activities; • Expand your knowledge of Cheminformatics and computational chemistry through appropriate reading and attendance of courses and external meetings; • Disseminate the latest Cheminformatics and Computational Chemistry research trends and developments across the team, analyse them for potential benefits to our platform and identify novel research and application opportunities; • Execute cheminformatics work with a high level of proactivity; • Meet the user community to understand their scientific and technical challenges and identify where data science can best impact; • Optimize solutions for performance and scalability; • Working with the Discovery Science team provide, scientific support for users as is necessary to build a strong scientific relationship.

Communication and information

• Report to and meet with their line manager at a minimum of once per month; • Represent and promote the scientific interests of the company via the publication of papers and giving scientific presentations;

• Promote the company and its charitable aims within the scientific industrial and academic communities; • Ensure effective internal communications both within the scientific team and across the organisation; • Prepare scientific training materials on CCDC software for use in workshops and training courses for academic or industrial user communities and deliver them directly, by webinar or other appropriate methods.

Policies and Procedures

• Comply with all relevant policies and procedures • Complete all documents required by the company policies and procedures

Other

• Undertake additional tasks and responsibilities as may be reasonably expected of the role and as necessary in order to achieve the objectives of the science group and CCDC goals.

PERSON SPECIFICATION

Education, Skills & Knowledge

Educated to degree level or equivalent Essential

A PhD in cheminformatics, computational chemistry or a related field Essential

Experience of the Cambridge Structural Database System, data and Desirable software

Experience with workflow applications and data analytics software Essential (Pipeline Pilot, KNIME)

Significant experience in Python scripting and the development and Essential application of cheminformatics tools/workflows

Experience with machine learning and advanced data analysis Desirable techniques applied to molecular informatics.

Advanced cheminformatics, computational chemistry and molecular Desirable modelling approaches.

Experience of using initiative to drive forward research ideas Essential

Experience of writing reports and summarizing scientific findings Essential concisely and clearly

Excellent communication and presentation skills Essential

Abilities

Deliver work to deadlines Essential

Good attention to detail Essential

Manage own work and support that of others Essential

Self-organising and able to prioritise effectively Essential

Able to undertake international travel Essential

Education, Skills & Knowledge

Experience

Can demonstrate ongoing scientific project delivery Essential

Experience in an organisation involved in structural science and/or Desirable software development or a related company

Experience in pharmaceutical or consumer-based industry or Desirable academia