Relative partition coefficients from partition functions: A theoretical approach to drug transport

J.W. Essex, C.A. Reynolds, W.G. Richards

Research output: Contribution to journalArticle

38 Citations (Scopus)

Abstract

The free-energy perturbation method has been applied to the calculation of the difference in partition coefficients (P) between methanol and ethanol partitioned between water and carbon tetrachloride; calculated and experimental values agree to within 0.06 log P units.
Original languageEnglish
Pages (from-to)1152-1154
Number of pages3
JournalJournal of the Chemical Society, Chemical Communications
Volume16
DOIs
Publication statusPublished - 1989
Externally publishedYes

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