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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...
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| Udgivet i: | J Comput Aided Mol Des |
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| Main Authors: | , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Springer International Publishing
2021
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8273033/ https://ncbi.nlm.nih.gov/pubmed/34251523 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-021-00409-2 |
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