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Predicting octanol/water partition coefficients for the SAMPL6 challenge using the SM12, SM8, and SMD solvation models |
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| Authors: | Ouimet Jonathan A. Paluch Andrew S. |
| Affiliation: | 1.Department of Chemical, Paper, and Biomedical Engineering, Miami University, Oxford, OH, 45056, USA ; |
| Abstract: | Journal of Computer-Aided Molecular Design - Blind predictions of octanol/water partition coefficients at 298 K for 11 kinase inhibitor fragment like compounds were made for the SAMPL6 challenge.... |
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