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Machine Learning for Fast, Quantum Mechanics-Based Approximation of Drug Lipophilicity
[Image: see text] Lipophilicity, as measured by the partition coefficient between octanol and water (log P), is a key parameter in early drug discovery research. However, measuring log P experimentally is difficult for specific compounds and log P ranges. The resulting lack of reliable experimental...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9850743/ https://www.ncbi.nlm.nih.gov/pubmed/36687099 http://dx.doi.org/10.1021/acsomega.2c05607 |