Relative partition coefficients from partition functions: a theoretical approach to drug transport
- 1 January 1989
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Chemical Communications
- No. 16,p. 1152-1154
- https://doi.org/10.1039/c39890001152
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.Keywords
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