Issue 16, 1989

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

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.

Article information

Article type
Paper

J. Chem. Soc., Chem. Commun., 1989, 1152-1154

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

J. W. Essex, C. A. Reynolds and W. G. Richards, J. Chem. Soc., Chem. Commun., 1989, 1152 DOI: 10.1039/C39890001152

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