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Dimensionally reduced machine learning model for predicting single component octanol–water partition coefficients
MF-LOGP, a new method for determining a single component octanol–water partition coefficients ([Formula: see text] ) is presented which uses molecular formula as the only input. Octanol–water partition coefficients are useful in many applications, ranging from environmental fate and drug delivery. C...
| 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/PMC9854055/ https://www.ncbi.nlm.nih.gov/pubmed/36658606 http://dx.doi.org/10.1186/s13321-022-00660-1 |