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

2014124 citationsJournal Articlehybrid Open Access

Authors

Isidro Cortés‐Ciriano · Délégation Paris 6

Qurrat Ul Ain · Unilever (United Kingdom)

Vigneshwari Subramanian · University of Helsinki

Eelke B. Lenselink · Institute of Medicinal Plant Development

Oscar Méndez‐Lucio · Unilever (United Kingdom)

Adriaan P. IJzerman · Centre for Human Drug Research

Gerd Wohlfahrt

Abstract

Proteochemometric (PCM) modelling is a computational method to model the bioactivity of multiple ligands against multiple related protein targets simultaneously.

Topics & Keywords

Computational Drug Discovery Methods Viral Infectious Diseases and Gene Expression in Insects Advanced Biosensing Techniques and Applications

UN Sustainable Development Goals

Zero hunger

Publication Details

Published in: MedChemComm

Volume 6, Issue 1, pp. 24-50

DOI: 10.1039/c4md00216d

Field-Weighted Citation Impact: 15.07