Feature importance correlation from machine learning indicates functional relationships between proteins and similar compound binding characteristics
Abstract Machine learning is widely applied in drug discovery research to predict molecular properties and aid in the identification of active compounds. Herein, we introduce a new approach that uses model-internal information from compound activity predictions to uncover relationships between targe...
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| Auteurs principaux: | , |
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| Format: | article |
| Langue: | EN |
| Publié: |
Nature Portfolio
2021
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| Accès en ligne: | https://doaj.org/article/bc252408c3dc491e81bac622c5fb9155 |
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