Machine learning reveals that structural features distinguishing promiscuous and non-promiscuous compounds depend on target combinations
Abstract 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 cha...
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| Auteurs principaux: | , |
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| Format: | article |
| Langue: | EN |
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Nature Portfolio
2021
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| Accès en ligne: | https://doaj.org/article/83b7d8f712e044dbb9f8249f70d76be9 |
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