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Machine learning with physicochemical relationships: solubility prediction in organic solvents and water
Solubility prediction remains a critical challenge in drug development, synthetic route and chemical process design, extraction and crystallisation. Here we report a successful approach to solubility prediction in organic solvents and water using a combination of machine learning (ANN, SVM, RF, Extr...
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| Publicado no: | Nat Commun |
|---|---|
| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group UK
2020
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7666209/ https://ncbi.nlm.nih.gov/pubmed/33188226 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41467-020-19594-z |
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