ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics

Public Domain HTS Fingerprints: Design and Evaluation of Compound Bioactivity Profiles from PubChem’s Bioassay Repository

(2016) Kazi Yasin Helal et al.   Journal of Chemical Information and Modeling

Curation of chemogenomics data

(2015) Denis Fourches et al.   Nature Chemical Biology

BindingDB in 2015: A public database for medicinal chemistry, computational chemistry and systems pharmacology

(2015) Michael K. Gilson et al.   NUCLEIC ACIDS RESEARCH

PubChem Substance and Compound databases

(2015) Sunghwan Kim et al.   NUCLEIC ACIDS RESEARCH

Tissue-based map of the human proteome

(2015) M. Uhlen et al.   SCIENCE

Accurate and efficient target prediction using a potency-sensitive influence-relevance voter

(2015) Alessandro Lusci et al.   Journal of Cheminformatics

Target prediction utilising negative bioactivity data covering large chemical space

(2015) Lewis H. Mervin et al.   Journal of Cheminformatics

InChI, the IUPAC International Chemical Identifier

(2015) Stephen R Heller et al.   Journal of Cheminformatics

Genenames.org: the HGNC resources in 2015

(2014) Kristian A. Gray et al.   NUCLEIC ACIDS RESEARCH

The Mouse Genome Database (MGD): facilitating mouse as a model for human biology and disease

(2014) Janan T. Eppig et al.   NUCLEIC ACIDS RESEARCH

The Rat Genome Database 2015: genomic, phenotypic and environmental variations and disease

(2014) Mary Shimoyama et al.   NUCLEIC ACIDS RESEARCH

Stereo Signature Molecular Descriptor

(2013) Pablo Carbonell et al.   Journal of Chemical Information and Modeling

Ambit-Tautomer: An Open Source Tool for Tautomer Generation

(2013) Nikolay T. Kochev et al.   Molecular Informatics

The Cancer Genome Atlas Pan-Cancer analysis project

(2013) John N Weinstein et al.   NATURE GENETICS

PubChem BioAssay: 2014 update

(2013) Yanli Wang et al.   NUCLEIC ACIDS RESEARCH

The ChEMBL bioactivity database: an update

(2013) A. Patrícia Bento et al.   NUCLEIC ACIDS RESEARCH

The CARLSBAD Database: A Confederated Database of Chemical Bioactivities

(2013) Stephen L. Mathias et al.   Database-The Journal of Biological Databases and Curation

LIBSVM

(2012) Chih-Chung Chang et al.   ACM Transactions on Intelligent Systems and Technology

Making every SAR point count: the development of Chemistry Connect for the large-scale integration of structure and bioactivity data

(2011) Sorel Muresan et al.   DRUG DISCOVERY TODAY

jCompoundMapper: An open source Java library and command-line tool for chemical fingerprints

(2011) Georg Hinselmann et al.   Journal of Cheminformatics

AMBIT RESTful web services: an implementation of the OpenTox application programming interface

(2011) Nina Jeliazkova et al.   Journal of Cheminformatics

Design of compound libraries for fragment screening

(2009) Niklas Blomberg et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Escape from Flatland: Increasing Saturation as an Approach to Improving Clinical Success

(2009) Frank Lovering et al.   JOURNAL OF MEDICINAL CHEMISTRY