1. Centre
for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, CB2 1EW, Cambridge, United Kingdom
2. Division
of Medicinal Chemistry, Leiden Academic Centre for Drug Research, Leiden University, P.O.
Box 9502, 2300 RA Leiden, The Netherlands
3. Novartis
Institutes for BioMedical Research, Novartis Pharma AG, Novartis Campus, 4056 Basel, Switzerland