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Comparison of Reliability of log P Values for Drugs Calculated by Several Methods.
Open accessAbstract
The values of log P (partition coefficient in octanol/water) for 22 drugs selected by Rekker et al. [Quant. Struct.-Act. Relat., 12, 152 (1993)] were calculated by the simple method of Moriguchi et al. [Chem. Pharm. Bull., 40, 127 (1992); M] using only 7 parameters, and compared with those obtained from the procedures of Rekker (R), Hansch and Leo (H), and Suzuki and Kudo (S). The descending order of the reliability was M, H, R, and S in the standard error of estimate, R, H, M, and S in the averaged absolute residual-sums, and M, R, H, and S in the regression coefficients between observed and estimated log P values. Serious errors of estimate beyond 2.0 in the absolute residual were seen in R, H, and S, but not in M. These results showed that the method of Moriguchi et al. is not only simple and convenient but also reliable in the application to drugs with complex structures.
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Daina, A., Michielin, O., & Zoete, V. (2017) · Scientific Reports · doi:10.1038/srep42717 · Cited by 18,367
Lipinski, C. A., Lombardo, F., Dominy, B. W., & Feeney, P. J. (2001) · Advanced Drug Delivery Reviews · doi:10.1016/s0169-409x(00)00129-0 · Cited by 18,139
Paterson, S., Alonso-Pintre, L., Morato-López, E., González de la Fuente, S., Gómez-Cortés, P., & Hernández-Ledesma, B. (2025) · Foods · doi:10.3390/foods14020252 · Cited by 20
Metadata
- Authors
- MORIGUCHI, I., HIRONO, S., NAKAGOME, I., & HIRANO, H.
- Venue
- Chemical and Pharmaceutical Bulletin
- Publisher
- Pharmaceutical Society of Japan
- Published
- 1994
- Volume
- 42
- Issue
- 4
- Pages
- 976-978
- ISSN
- 0009-2363 (ISSN-L)
- 1347-5223
- OpenAlex
- W1491051499
- Cited by
- 278
- References
- 0
- FWCI
- 5.33
- Type
- journal article
- Language
- en
- Open access
- bronze
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- CoChat. (2026). Citation check: Comparison of Reliability of log P Values for Drugs Calculated by Several Methods. https://app.cochat.ai/papers/10.1248/cpb.42.976
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- MORIGUCHI, I., HIRONO, S., NAKAGOME, I., & HIRANO, H. (1994). Comparison of Reliability of log P Values for Drugs Calculated by Several Methods. Chemical and Pharmaceutical Bulletin. https://doi.org/10.1248/cpb.42.976
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