ChEMBL: a large-scale bioactivity database for drug discovery

Large-scale exploration of bioisosteric replacements on the basis of matched molecular pairs

(2011) Anne Mai Wassermann et al.   Future Medicinal Chemistry

PSICQUIC and PSISCORE: accessing and scoring molecular interactions

(2011) Bruno Aranda et al.   NATURE METHODS

Lead Optimization Using Matched Molecular Pairs: Inclusion of Contextual Information for Enhanced Prediction of hERG Inhibition, Solubility, and Lipophilicity

(2010) George Papadatos et al.   Journal of Chemical Information and Modeling

Thousands of chemical starting points for antimalarial lead identification

(2010) Francisco-Javier Gamo et al.   NATURE

Chemical genetics of Plasmodium falciparum

(2010) W. Armand Guiguemde et al.   NATURE

PDBe: Protein Data Bank in Europe

(2010) S. Velankar et al.   NUCLEIC ACIDS RESEARCH

IUPHAR-DB: new receptors and tools for easy searching and visualization of pharmacological data

(2010) Joanna L. Sharman et al.   NUCLEIC ACIDS RESEARCH

BRENDA, the enzyme information system in 2011

(2010) M. Scheer et al.   NUCLEIC ACIDS RESEARCH

DrugBank 3.0: a comprehensive resource for 'Omics' research on drugs

(2010) C. Knox et al.   NUCLEIC ACIDS RESEARCH

Ongoing and future developments at the Universal Protein Resource

(2010)   NUCLEIC ACIDS RESEARCH

Molecular structure input on the web

(2010) Peter Ertl   Journal of Cheminformatics

Guide to Receptors and Channels (GRAC), 4th edition

(2009)   BRITISH JOURNAL OF PHARMACOLOGY

ChEMBL. An interview with John Overington, team leader, chemogenomics at the European Bioinformatics Institute Outstation of the European Molecular Biology Laboratory (EMBL-EBI)

(2009) Wendy A. Warr   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

The topology of drug–target interaction networks: implicit dependence on drug properties and target families

(2009) Jordi Mestres et al.   Molecular BioSystems

Predicting new molecular targets for known drugs

(2009) Michael J. Keiser et al.   NATURE

An overview of the PubChem BioAssay resource

(2009) Yanli Wang et al.   NUCLEIC ACIDS RESEARCH

Chemical Entities of Biological Interest: an update

(2009) Paula de Matos et al.   NUCLEIC ACIDS RESEARCH

Database resources of the National Center for Biotechnology Information

(2008) E. W. Sayers et al.   NUCLEIC ACIDS RESEARCH

In silicoactivity profiling reveals the mechanism of action of antimalarials discovered in a high-throughput screen

(2008) David Plouffe et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA