Molecular Transformations as a Way of Finding and Exploiting Consistent Local QSAR-Reference-Cited by-同舟云学术

Molecular Transformations as a Way of Finding and Exploiting Consistent Local QSAR

Published:2005-11-03 Issue:1 Volume:46 Page:180-192
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Sheridan Robert P.¹,Hunt Peter¹,Culberson J. Chris¹

Affiliation:

1. Molecular Systems Department, RY50S-100 Merck Research Laboratories, Rahway, New Jersey 07065, Neuroscience Research Centre, Terlings Park, Eastwick Road, Harlow, Essex CM20 2QR, U.K., and Molecular Systems Department, WP53F-301 Merck Research Laboratories, West Point, Pennsylvania 19486

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/ci0503208

Reference10 articles.

1. Atom pairs as molecular features in structure-activity studies: definition and applications

2. Topological torsion: a new molecular descriptor for SAR applications. Comparison with other descriptors

3. A Method for Visualizing Recurrent Topological Substructures in Sets of Active Molecules

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

5. Unsupervised Data Base Clustering Based on Daylight's Fingerprint and Tanimoto Similarity: A Fast and Automated Way To Cluster Small and Large Data Sets

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