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How can SHAP values help to shape metabolic stability of chemical compounds?
BACKGROUND: Computational methods support nowadays each stage of drug design campaigns. They assist not only in the process of identification of new active compounds towards particular biological target, but also help in the evaluation and optimization of their physicochemical and pharmacokinetic pr...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer International Publishing
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8477573/ https://www.ncbi.nlm.nih.gov/pubmed/34579792 http://dx.doi.org/10.1186/s13321-021-00542-y |