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Prediction of small-molecule compound solubility in organic solvents by machine learning algorithms
Rapid solvent selection is of great significance in chemistry. However, solubility prediction remains a crucial challenge. This study aimed to develop machine learning models that can accurately predict compound solubility in organic solvents. A dataset containing 5081 experimental temperature and s...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8665485/ https://www.ncbi.nlm.nih.gov/pubmed/34895323 http://dx.doi.org/10.1186/s13321-021-00575-3 |