RS-WebPredictor specifications

Unique identifier:
Restrictions to use:
Output data:
The top three predicted SOMs of each chosen isozyme model in SDF file, a tabular result file containing the molecule name and the atom IDs, a web page with graphic figures of each submitted molecule having numbers and circles drawn to designate the corresponding top three predicted SOMs by a given model
Computer skills:
Web user interface
Input data:
Substrate file in SDF or SMILES format, substrate drawn or copied from a MOL file
Programming languages:

RS-WebPredictor support



  • Curt M. Breneman <>


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Department of Pathology and Immunology, Washington University School of Medicine, St. Louis, MO, USA; Department of Chemistry and Chemical Biology, Rensselaer Polytechnic Institute, Troy, NY, USA; Department of Basic and Social Sciences, Albany College of Pharmacy and Health Sciences, Albany, NY, USA; Department of Drug Design and Pharmacology, University of Copenhagen, Copenhagen, Denmark

Funding source(s)

NIH grants (1P20HG003899-01 and R01LM009731); ONR grant (N00014-06-1-0014); Lhasa Ltd; the Patholology and Immunology Department at Washington University; GlaxoSmithKline

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