Very empirical treatment of solvation and entropy: a force field derived from Log Po/w
- 1 January 2001
- journal article
- Published by Springer Nature in Journal of Computer-Aided Molecular Design
- Vol. 15 (4) , 381-393
- https://doi.org/10.1023/a:1011136228678
Abstract
A non-covalent interaction force field model derived from the partition coefficient of 1-octanol/water solubility is described. This model, HINT for Hydropathic INTeractions, is shown to include, in...Keywords
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