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Prediction of organic compound aqueous solubility using machine learning: a comparison study of descriptor-based and fingerprints-based models
A reliable and practical determination of a chemical species’ solubility in water continues to be examined using empirical observations and exhaustive experimental studies alone. Predictions of chemical solubility in water using data-driven algorithms can allow us to create a rationally designed, ef...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10583449/ https://www.ncbi.nlm.nih.gov/pubmed/37853492 http://dx.doi.org/10.1186/s13321-023-00752-6 |