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An explainability framework for deep learning on chemical reactions exemplified by enzyme-catalysed reaction classification
Assigning or proposing a catalysing enzyme given a chemical or biochemical reaction is of great interest to life sciences and chemistry alike. The exploration and design of metabolic pathways and the challenge of finding more sustainable enzyme-catalysed alternatives to traditional organic reactions...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer International Publishing
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10668483/ https://www.ncbi.nlm.nih.gov/pubmed/37996942 http://dx.doi.org/10.1186/s13321-023-00784-y |