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MOESM3 of BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification

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posted on 2019-01-05, 05:00 authored by Yannick Djoumbou-Feunang, Jarlei Fiamoncini, Alberto Gil-de-la-Fuente, Russell Greiner, Claudine Manach, David Wishart
Additional file 3. Phase-II-Filter-Features.

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Alberta Innovates - Health Solutions

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    Journal of Cheminformatics

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    Keywords

    Metabolism predictionMetabolite identificationBiotransformationMicrobial degradationMass spectrometryMachine learningKnowledge-based systemStructure-based classificationMetabolic pathwayEnzyme-substrate specificity

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    CC BY + CC0

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