MolAnchor method for explaining compound predictions based on substructures
In medicinal chemistry, the impact of machine learning remains limited if predictions are not understood, which often precludes experimental follow-up. Therefore, chemically intuitive approaches that aid in model understanding and interpretation at the molecular level of detail are sought after. Whi...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2024-12-01
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| Series: | European Journal of Medicinal Chemistry Reports |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S277241742400102X |
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