Welcome to Biotransformer 3.0!
BioTransformer 3.0 is a software tool that predicts small molecule metabolism in mammals, their gut microbiota, as well as the soil/aquatic microbiota. Moreover, it can also assist scientists in the identification of metabolites, which is based on the metabolism prediction. BioTransformer uses both a knowledge-based approach and a machine learning based approach to predict small molecules metabolism. In particular, BioTransformer consists of five independent modules: EC-based, CYP450, Phase II, Human Gut Microbial and Environmental Microbial. The BioTransformer library is available at this Bitbucket page.
Please cite:Wishart DS, Tian S, Allen D, Oler E, Peters H, Lui VW, Gautam V, Djoumbou Feunang Y, Greiner R, Metz TO; BioTransformer 3.0 – A Web Server for Accurately Predicting Metabolic Transformation Products [Submitted in Nucleic Acids Research, Webserver Issue.Apr.2022]
Djoumbou Feunang Y, Fiamoncini J, de la Fuente AG, Manach C, Greiner R, and Wishart DS; BioTransformer: A Comprehensive Computational Tool for Small Molecule Metabolism Prediction and Metabolite Identification; Journal of Cheminformatics; 2019; Journal of Cheminformatics 11:2; DOI: 10.1186/s13321-018-0324-5