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Octanol-water partition coefficient measurements for the SAMPL6 Blind Prediction Challenge

Partition coefficients describe the equilibrium partitioning of a single, defined charge state of a solute between two liquid phases in contact, typically a neutral solute. Octanol-water partition coefficients (K(ow)), or their logarithms (log P), are frequently used as a measure of lipophilicity in...

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Detalhes bibliográficos
Publicado no:J Comput Aided Mol Des
Main Authors: Işık, Mehtap, Levorse, Dorothy, Mobley, David L., Rhodes, Timothy, Chodera, John D.
Formato: Artigo
Idioma:Inglês
Publicado em: 2019
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Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7301889/
https://ncbi.nlm.nih.gov/pubmed/31858363
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-019-00271-3
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