RS-WebPredictor specifications


Unique identifier OMICS_13727
Name RS-WebPredictor
Interface Web user interface
Restrictions to use None
Input data Substrate file in SDF or SMILES format, substrate drawn or copied from a MOL file
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
Programming languages MATLAB, Perl
Computer skills Basic
Stability Stable
Maintained Yes



  • person_outline Curt M. Breneman

Publication for RS-WebPredictor

RS-WebPredictor citation


A novel approach for the prediction of species specific biotransformation of xenobiotic/drug molecules by the human gut microbiota

Sci Rep
PMCID: 5575299
PMID: 28852076
DOI: 10.1038/s41598-017-10203-6

[…] nd reduction reactions) and phase-II (conjugation reactions) metabolic processes, namely MetaSite, Metaprint2D, ADMET predictor, Metabolism Module simulations Plus (, RS-WebPredictor and FAME. To our knowledge, there is no tool or computational approach available to predict the biotransformation of xenobiotic/drug in human gut by the metabolic enzymes encoded by th […]

RS-WebPredictor institution(s)
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
RS-WebPredictor 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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