## Abstract This study examines the transferability of fragmental contributions to the octanol/water partition coefficient. As a previous step, we report the parameterization of the AM1 and PM3 versions of the MST model for __n__‐octanol. The final AM1 and PM3 MST models reproduce the experimental
✦ LIBER ✦
A Structural Analogue Approach to the Prediction of the Octanol—Water Partition Coefficient.
✍ Scribed by Aleksandr Y. Sedykh; Gilles Klopman
- Publisher
- John Wiley and Sons
- Year
- 2006
- Weight
- 8 KB
- Volume
- 37
- Category
- Article
- ISSN
- 0931-7597
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