AMG Global Compound Design meeting July 2016
The ChEMBL Database for Drug Discover and Design, Anna Gaulton, EMBL-EBI
Two ChEMBL use cases:
(1) Using ChEMBL data to produce a Quantitative Estimate of Drug-likeness Anna Gaulton, EMBL-EBI;
(2) Using ChEMBL data to derive transformations and models for de novo design, Jérémy Besnard, ExScientia.
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