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Multiple linear regression models for predicting the n‑octanol/water partition coefficients in the SAMPL7 blind challenge
A multiple linear regression model called MLR-3 is used for predicting the experimental n-octanol/water partition coefficient (log P(N)) of 22 N-sulfonamides proposed by the organizers of the SAMPL7 blind challenge. The MLR-3 method was trained with 82 molecules including drug-like sulfonamides and...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8273033/ https://www.ncbi.nlm.nih.gov/pubmed/34251523 http://dx.doi.org/10.1007/s10822-021-00409-2 |