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Machine learning reveals that structural features distinguishing promiscuous and non-promiscuous compounds depend on target combinations
Compounds with defined multi-target activity (promiscuity) play an increasingly important role in drug discovery. However, the molecular basis of multi-target activity is currently only little understood. In particular, it remains unclear whether structural features exist that generally characterize...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group UK
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8042106/ https://www.ncbi.nlm.nih.gov/pubmed/33846469 http://dx.doi.org/10.1038/s41598-021-87042-z |