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Blind prediction of cyclohexane-water distribution coefficients from the SAMPL5 challenge
In the recent SAMPL5 challenge, participants submitted predictions for cyclohexane/water distribution coefficients for a set of 53 small molecules. Distribution coefficients (log D) replace the hydration free energies that were a central part of the past five SAMPL challenges. A wide variety of comp...
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| Publicado no: | J Comput Aided Mol Des |
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| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2016
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5209301/ https://ncbi.nlm.nih.gov/pubmed/27677750 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-016-9954-8 |
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