iLOGP: A Simple, Robust, and Efficient Description of n-Octanol/Water Partition Coefficient for Drug Design Using the GB/SA Approach-Reference-Cited by-同舟云学术

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iLOGP: A Simple, Robust, and Efficient Description of n-Octanol/Water Partition Coefficient for Drug Design Using the GB/SA Approach

Published:2014-11-25 Issue:12 Volume:54 Page:3284-3301
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Daina Antoine¹,Michielin Olivier¹²³,Zoete Vincent¹

Affiliation:

1. Molecular Modeling Group, SIB Swiss Institute of Bioinformatics, Quartier Sorge, Bâtiment Génopode, CH-1015 Lausanne, Switzerland

2. Ludwig Center for Cancer Research of the University of Lausanne, CH-1015 Lausanne, Switzerland

3. Department of Oncology, University of Lausanne and Centre Hospitalier Universitaire Vaudois (CHUV), CH-1011 Lausanne, Switzerland

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci500467k

Reference81 articles.

1. Lipophilicity in Drug Action and Toxicology

2. Lipophilicity and Its Relationship with Passive Drug Permeation

3. 1-Octanol/Water Partition Coefficients of n-Alkanes from Molecular Simulations of Absolute Solvation Free Energies

4. The influence of lipophilicity in drug discovery and design

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