Gerard J. P. van Westen

A large-scale crop protection bioassay data set

George Papadatos, John P. Overington, Mark Davies, 2015, Scientific Data.

An exploration strategy improves the diversity of de novo ligands using deep reinforcement learning: a case for the adenosine A2A receptor

Gerard J. P. van Westen, Adriaan P. IJzerman, Xuhan Liu, 2018, Journal of Cheminformatics.

Towards predictive resistance models for agrochemicals by combining chemical and protein similarity via proteochemometric modelling

John P. Overington, Andreas Bender, Gerard J. P. van Westen, 2014, Journal of chemical biology.

A multiple classifier system identifies novel cannabinoid CB2 receptor ligands

Gerard J. P. van Westen, Iryna Yevseyeva, David Ruano-Ordás, 2019, Journal of Cheminformatics.

Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set

George Papadatos, Gerard J. P. van Westen, Adriaan P. IJzerman, 2017, bioRxiv.

Quantitative prediction of selectivity between the A1 and A2A adenosine receptors

Gerard J. P. van Westen, Adriaan P. IJzerman, Herman W. T. van Vlijmen, 2020, Journal of Cheminformatics.

High-Throughput Phenotypic Screening of Kinase Inhibitors to Identify Drug Targets for Polycystic Kidney Disease

Gerard J. P. van Westen, Bob van de Water, Kuan Yan, 2017, SLAS discovery : advancing life sciences R & D.