Creation and interpretation of machine learning models for aqueous solubility prediction
Aim: Solubility prediction is an essential factor in rational drug design and many models have been developed with machine learning (ML) methods to enhance the predictive ability. However, most of the ML models are hard to interpret which limits the insights they can give in the lead optimization pr...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Open Exploration
2023-10-01
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| Series: | Exploration of Drug Science |
| Subjects: | |
| Online Access: | https://www.explorationpub.com/uploads/Article/A100826/100826.pdf |
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