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COSMO-RS predictions of logP in the SAMPL7 blind challenge |
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| Authors: | Warnau Judith Wichmann Karin Reinisch Jens |
| Affiliation: | 1.Dassault Systemes Deutschland GmbH, Imbacher Weg 46, 51379, Leverkusen, Germany ; |
| Abstract: | Journal of Computer-Aided Molecular Design - We applied the COSMO-RS method to predict the partition coefficient logP between water and 1-octanol for 22 small drug like molecules within the... |
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| 本文献已被 SpringerLink 等数据库收录！ | |