A Simple, Robust and Efficient Computational Method for n-Octanol/Water Partition Coefficients of Substituted Aromatic Drugs

In this paper, multiple linear regression (MLR) was used to build quantitative structure property relationship (QSPR) of n-octanol-water partition coefficient (logP(o/w)) of 195 substituted aromatic drugs. The molecular descriptors were calculated for each compound by the VLifeMDS. By applying genet...

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Detalles Bibliográficos
Autores principales: Bahmani, Asrin, Saaidpour, Saadi, Rostami, Amin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5515958/
https://www.ncbi.nlm.nih.gov/pubmed/28720783
http://dx.doi.org/10.1038/s41598-017-05964-z

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5515958/
https://www.ncbi.nlm.nih.gov/pubmed/28720783
http://dx.doi.org/10.1038/s41598-017-05964-z

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