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

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

Abstract Background A number of computational tools for metabolism prediction have been developed over the last 20 years to predict the structures of small molecules undergoing biological transformation or environmental degradation. These tools were largely developed to facilitate absorption, distri...

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Bibliographic Details
Main Authors: Yannick Djoumbou-Feunang, Jarlei Fiamoncini, Alberto Gil-de-la-Fuente, Russell Greiner, Claudine Manach, David S. Wishart
Format: Article
Language:English
Published: BMC 2019-01-01
Series:Journal of Cheminformatics
Subjects:
Metabolism prediction
Metabolite identification
Biotransformation
Microbial degradation
Mass spectrometry
Machine learning
Online Access:http://link.springer.com/article/10.1186/s13321-018-0324-5

Internet

http://link.springer.com/article/10.1186/s13321-018-0324-5

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