Polypharmacology modelling using proteochemometrics (PCM): Recent methodological developments, applications to target families, and future prospects

Proteochemometric (PCM) modelling is a computational method to model the bioactivity of multiple ligands against multiple related protein targets simultaneously.ICC thanks the Pasteur-Paris International PhD Program and Institut Pasteur Paris for funding. QUA thanks the Islamic Development Bank and Cambridge Commonwealth Trust for funding. VS thanks the Finnish National Doctoral Program in Informational and Structural Biology for organizing graduate studies and Helsinki University Research Foundation for funding. API and EBL thank the Dutch Research Council (NWO) for financial support (NWO-TOP #714.011.001). OML is grateful to CONACyT (No. 217442/312933) and Cambridge Overseas Trust for funding. TM thanks the Institut Pasteur Paris and CNRS for funding. GJPvW thanks EMBL (EIPOD) and Marie Curie (COFUND) for funding. AB thanks Unilever and the European Research Commission (Starting Grant ERC-2013-StG 336159 MIXTURE) for funding.This is the final version. It was first published by RSC at http://pubs.rsc.org/en/content/articlelanding/2015/md/c4md00216d#!divAbstract