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Explaining Accurate Predictions of Multitarget Compounds with Machine Learning Models Derived for Individual Targets
In drug discovery, compounds with well-defined activity against multiple targets (multitarget compounds, MT-CPDs) provide the basis for polypharmacology and are thus of high interest. Typically, MT-CPDs for polypharmacology have been discovered serendipitously. Therefore, over the past decade, compu...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9860926/ https://www.ncbi.nlm.nih.gov/pubmed/36677879 http://dx.doi.org/10.3390/molecules28020825 |