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Holistic evaluation of biodegradation pathway prediction: assessing multi-step reactions and intermediate products

The prediction of metabolism and biotransformation pathways of xenobiotics is a highly desired tool in environmental sciences, drug discovery, and (eco)toxicology. Several systems predict single transformation steps or complete pathways as series of parallel and subsequent steps. Their performance i...

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Detalles Bibliográficos
Autores principales: Tam, Jason Y. C., Lorsbach, Tim, Schmidt, Sebastian, Wicker, Jörg S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8414759/
https://www.ncbi.nlm.nih.gov/pubmed/34479624
http://dx.doi.org/10.1186/s13321-021-00543-x