About the Authors

Gerard J. P. van Westen

Current address: ChEMBL Group, EMBL-EBI, Wellcome Trust Genome Campus, Hinxton, United Kingdom.

Affiliation Division of Medicinal Chemistry, Leiden/Amsterdam Center for Drug Research, Leiden, The Netherlands

Alwin Hendriks

Affiliation Division of Medicinal Chemistry, Leiden/Amsterdam Center for Drug Research, Leiden, The Netherlands

Jörg K. Wegner

Affiliation Tibotec BVBA, Beerse, Belgium

Adriaan P. IJzerman

Affiliation Division of Medicinal Chemistry, Leiden/Amsterdam Center for Drug Research, Leiden, The Netherlands

Herman W. T. van Vlijmen

Affiliations Division of Medicinal Chemistry, Leiden/Amsterdam Center for Drug Research, Leiden, The Netherlands, Tibotec BVBA, Beerse, Belgium

Andreas Bender

ab454@cam.ac.uk

Affiliations Division of Medicinal Chemistry, Leiden/Amsterdam Center for Drug Research, Leiden, The Netherlands, Unilever Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, Cambridge, United Kingdom

Competing Interests

The authors have declared that no competing interests exist.

Author Contributions

Conceived and designed the experiments: GJPvW AH HWTvV AB. Performed the experiments: GJPvW AH. Analyzed the data: GJPvW AH API HWTvV AB. Contributed reagents/materials/analysis tools: JKW HWTvV. Wrote the paper: GJPvW AH JKW API HWTvV AB.