This article is part of the supplement: Ninth Annual MCBIOS Conference. Dealing with the Omics Data Deluge

Open Access Proceedings

Implementation of multiple-instance learning in drug activity prediction

Gang Fu1, Xiaofei Nan2, Haining Liu1, Ronak Y Patel1,4, Pankaj R Daga1, Yixin Chen2*, Dawn E Wilkins2* and Robert J Doerksen1,3*

1 Department of Medicinal Chemistry, School of Pharmacy, University of Mississippi, University, 38677, USA

2 Department of Computer and Information Science, School of Engineering, University of Mississippi, University, 38677, USA

3 Research Institute of Pharmaceutical Sciences, School of Pharmacy, University of Mississippi, University, 38677, USA

4 Department of Genetics, Washington University School of Medicine, 4444 Forest Park Blvd., Campus Box 8510, MO 63108, USA

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BMC Bioinformatics 2012, 13(Suppl 15):S3 doi:10.1186/1471-2105-13-S15-S3

Published: 11 September 2012

Additional files

Additional file 1:

This file contains the chemical structures of 12 co-crystallized molecules (from GSK-3 structures) in PDB database, associated with the ID number, names, and PDB ID.

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Open Data