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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer International Publishing
2021
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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 |