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Knowledge Management Center for Illuminating the Druggable Genome

Andrew Leach
Dr. Leach holds degrees in Chemistry from Oxford University.
Global Head of Biomolecular Sciences.
Trustee of the Cambridge Crystallographic Data Centre 2006-2015.
Editor of the Journal of Computer-Aided Molecular Design 1997-2012.


Contacts

EMBL-EBI:: @emblebi

Overview

EMBL-EBI has developed tools for automated extraction and expert curation of medicinal chemistry data. The group led by A. Leach has extracted pertinent target-chemical pairs from the patent literature and late-stage drug development, as well as the clinical candidate literature.

NIH grant number: 1U24 CA224370-01



KMC-EBI publications:

  1. Pharos: Collating protein information to shed light on the druggable genome. Nguyen DT, Mathias S, Bologa C, Brunak S, Fernandez N, Gaulton A, Hersey A, Holmes J, Jensen LJ, Karlsson A, Liu G, Ma'ayan A, Mandava G, Mani S, Mehta S, Overington J, Patel J, Rouillard AD, Schürer S, Sheils T, Simeonov A, Sklar LA, Southall N, Ursu O, Vidovic D, Waller A, Yang J, Jadhav A, Oprea TI, Guha R. Nucleic Acids Res. 2017 Jan 4;45(D1):D995-D1002. doi: 10.1093/nar/gkw1072. Epub 2016 Nov 29. PMID: 27903890, PMCID: PMC5210555