Machine learning with physicochemical relationships: solubility prediction in organic solvents and water
Accurate prediction of solubility represents a challenge for traditional computational approaches due to the complex nature of phenomena involved. Here the authors report a successful approach to solubility prediction in organic solvents and water using combination of machine learning and computatio...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Publishing Group
2020-11-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-020-19594-z |
| Summary: | Accurate prediction of solubility represents a challenge for traditional computational approaches due to the complex nature of phenomena involved. Here the authors report a successful approach to solubility prediction in organic solvents and water using combination of machine learning and computational chemistry. |
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| ISSN: | 2041-1723 |