Identifying and Selecting ChEMBL datasets for toxicology modelling

ChEMBL is a database of bioactive drug-like small molecules and bioactivity data such as binding constants, pharmacology and ADMET data extracted from the primary medicinal chemistry literature and other sources.  In this workshop you will use ChEMBL to identify datasets for toxicology modeling such as those for compounds binding to a specific protein target (e.g hERG), a biological endpoint (e.g hepatotoxicty) or identifying the liabilities of specific molecular structural features.

You can download a tutorial guidance here: Chembl Guidance for OpenTox 2013 workshop