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The Alexandria Library, a Quantum-Chemical Database of Molecular Properties for Force field Development 9 2017 Received: October 1 1 1 Mohammad M
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Flexible Heuristic Algorithm for Automatic Molecule Fragmentation: Application to the UNIFAC Group Contribution Model Simon Müller*
Chemical Database Projects Delivered by RSC Escience
Predicting Outcomes of Catalytic Reactions Using Machine Learning
Umansysprop V1.0: an Online and Open-Source Facility for Molecular Property Prediction and Atmospheric Aerosol Calculations
Bringing Open Source to Drug Discovery
PSC-Db: a Structured and Searchable 3D-Database for Plant Secondary Compounds
Chemical Space, Diversity, and Complexity[Version 1; Peer Review: 2
Daylight Theory Manual Daylight Theory Manual Table of Contents Daylight Theory Manual
A Database of Medicinal Materials and Chemical Compounds in Northeast
Recent Advances in Multidimensional QSAR (4D-6D): a Critical Review
Chembiofinder V14 User Guide
View and Approval by a Chemoinformatician
From Data Base to Knowledge Graph - Using Data in Chemistry
LNCS 5102, Pp
Modeling Quantitative Structure-Activity Relationships for G-Protein Coupled Receptor Ligands Project Report
A Novel Method for Inference of Chemical Compounds of Cycle Index Two with Desired Properties Based on Artificial Neural Networks and Integer Programming
Top View
Extraction of Reaction Templates Using Cheminformatics Pieter P
Compilation of Henry's Law Constants :::: Water::::: Solvent, Version 3.99E
Introduction (Pdf)
Bringing Open Source to Drug Discovery
Chemical Structure Indexing of Toxicity Data on the Internet: Moving Toward a Flat World Ann M Richard1*, Lois Swirsky Gold2 & Marc C Nicklaus3
Cheminformatics: Applications on Modern Drug Discovery
Inchi FAQ (PDF Format)
Chemfinder 17.0 User Guide Chemfinder 17.0
EPA's Dsstox Chemical Database
CHEMICAL REPRESENTATION GUIDE 2016 Copyright Notice
Online Search of the Chemical Literature with Beilstein and Scifinder. This Lab Will Teach You How to Use MDL Crossfire to Search the Beilstein Chemical Database
Chemistry Teacher International 2021; 3(1): 57–65
National Chemical Database Service @ Cds.Rsc.Org
Pubchem in 2021: New Data Content and Improved Web Interfaces Sunghwan Kim , Jie Chen , Tiejun Cheng , Asta Gindulyte ,Jiahe , Siqian He , Qingliang Li , Benjamin A
Image-Based Automated Chemical Database Annotation with Ensemble of Machine-Vision Classifiers
Speeding up Chemical Database Searches Using a Proximity Filter Based on the Logical Exclusive OR
Graphical Representation Standards for Chemical Structure Diagrams**
Cheminformatics Approaches to Support Chemical Identification Delivered Via the EPA Comptox Chemicals Dashboard
Towards the Semantic Annotation of Pubchem Compound And
The Pubchemqc Project: a Large Chemical Database from the First
DDBST User Meeting
Qsars in the Assessment of the Environmental Fate and Effects of Chemicals
Open Source Workflow Engine for Cheminformatics: from Data Curation to Data Analysis
National Chemical Database Service @ Cds.Rsc.Org Crystallography and Physical Property Prediction Workshop
Download- and a Manual Check for Highly Frequent Terms Was Per- Able in Its Whole and Can Be Used As a Basis for the Crea- Formed [13]
Databases Available in the Research Information Center of the National Institute of Standards and Technology
Hybrid QSPR Models for the Prediction of the Free Energy of Solvation of Organic Solute/Solvent Cite This: Phys
FAIR Chemical Structures in the Journal of Cheminformatics Emma L
The Effect of Data Curation on the Accuracy of Quantitative Structure-Activity Relationship Models
Ambiguity of Non-Systematic Chemical Identifiers Within and Between Small
The Chemfinder Webserver: Any Orientation and Kekule Form
Pubchemqc PM6: a Dataset of 221 Million Molecules with Optimized