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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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Bibliografiska uppgifter
I publikationen:J Comput Aided Mol Des
Huvudupphovsmän: Lopez, Kenneth, Pinheiro, Silvana, Zamora, William J.
Materialtyp: Artigo
Språk:Inglês
Publicerad: Springer International Publishing 2021
Ämnen:
Länkar: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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