13321_2018_324_MOESM1_ESM.sdf (11.81 kB)

MOESM1 of BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification

Name: MOESM1 of BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification
Published: 2019-01-05T05:00:00+00:00
License: https://creativecommons.org/licenses/by/4.0/
Keywords: Metabolism prediction, Metabolite identification, Biotransformation, Microbial degradation, Mass spectrometry, Machine learning, Knowledge-based system, Structure-based classification, Metabolic pathway, Enzyme-substrate specificity

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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 1. Cited structures.

MOESM1 of BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification

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Alberta Innovates - Health Solutions

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