1. Institute
of General, Inorganic and Theoretical Chemistry, University of Innsbruck, Innrain 82, 6020 Innsbruck, Austria
2. Centre
for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom
3. Bioinformatics
Institute (BII), Agency of Science, Technology and Research (A* STAR), 30 Biopolis Street, Matrix#07-01, 138671 Singapore