Identifying mechanism-of-action targets for drugs and probes

Chemical informatics and target identification in a zebrafish phenotypic screen

(2011) Christian Laggner et al.   Nature Chemical Biology

How were new medicines discovered?

(2011) David C. Swinney et al.   NATURE REVIEWS DRUG DISCOVERY

ChEMBL: a large-scale bioactivity database for drug discovery

(2011) A. Gaulton et al.   NUCLEIC ACIDS RESEARCH

Chemical probes for biological systems

(2010) Ricard Garcia-Serna et al.   DRUG DISCOVERY TODAY

Extended-Connectivity Fingerprints

(2010) David Rogers et al.   Journal of Chemical Information and Modeling

Spatial chemical distance based on atomic property fields

(2010) A. V. Grigoryan et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Rethinking screening

(2010) Thomas Kodadek   Nature Chemical Biology

The art of the chemical probe

(2010) Stephen V Frye   Nature Chemical Biology

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

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

Development and Validation of a Novel Protein−Ligand Fingerprint To Mine Chemogenomic Space: Application to G Protein-Coupled Receptors and Their Ligands

(2009) Nathanael Weill et al.   Journal of Chemical Information and Modeling

Predicting new molecular targets for known drugs

(2009) Michael J. Keiser et al.   NATURE

A crowdsourcing evaluation of the NIH chemical probes

(2009) Tudor I Oprea et al.   Nature Chemical Biology

Open access chemical and clinical probes to support drug discovery

(2009) Aled M Edwards et al.   Nature Chemical Biology

The pharmacology of sigma-1 receptors

(2009) Tangui Maurice et al.   PHARMACOLOGY & THERAPEUTICS

A Ligand-Based Approach to Mining the Chemogenomic Space of Drugs

(2008) Elisabet Gregori-Puigjane et al.   COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING

Quantifying the Relationships among Drug Classes

(2008) Jérôme Hert et al.   Journal of Chemical Information and Modeling