Lead Optimization Using Matched Molecular Pairs: Inclusion of Contextual Information for Enhanced Prediction of hERG Inhibition, Solubility, and Lipophilicity-Reference-Cited by-同舟云学术

Lead Optimization Using Matched Molecular Pairs: Inclusion of Contextual Information for Enhanced Prediction of hERG Inhibition, Solubility, and Lipophilicity

Published:2010-09-28 Issue:10 Volume:50 Page:1872-1886
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Papadatos George,Alkarouri Muhammad,Gillet Valerie J.,Willett Peter,Kadirkamanathan Visakan¹,Luscombe Christopher N.,Bravi Gianpaolo,Richmond Nicola J.,Pickett Stephen D.,Hussain Jameed,Pritchard John M.,Cooper Anthony W. J.,Macdonald Simon J. F.

Affiliation:

1. Department of Automatic Control and Systems Engineering, University of Sheffield, Sheffield S1 3JD, U.K.

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/ci100258p

Reference30 articles.

1. An Introduction To Chemoinformatics

2. The Most Common Chemical Replacements in Drug-Like Compounds

3. Calculation of Intersubstituent Similarity Using R-Group Descriptors