Will we ever be able to accurately predict solubility?
Abstract Accurate prediction of thermodynamic solubility by machine learning remains a challenge. Recent models often display good performances, but their reliability may be deceiving when used prospectively. This study investigates the origins of these discrepancies, following three directions: a h...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2024-03-01
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| Series: | Scientific Data |
| Online Access: | https://doi.org/10.1038/s41597-024-03105-6 |