WizePairZ: A Novel Algorithm to Identify, Encode, and Exploit Matched Molecular Pairs with Unspecified Cores in Medicinal Chemistry-Reference-Cited by-同舟云学术

WizePairZ: A Novel Algorithm to Identify, Encode, and Exploit Matched Molecular Pairs with Unspecified Cores in Medicinal Chemistry

Published:2010-08-06 Issue:8 Volume:50 Page:1350-1357
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Warner Daniel J.¹,Griffen Edward J.¹,St-Gallay Stephen A.¹

Affiliation:

1. Department of Chemistry, AstraZeneca R&D Charnwood, Bakewell Road, Loughborough, Leicestershire LE11 5RH, United Kingdom, and Cancer and Infection Research, AstraZeneca R&D Alderley, Alderley Park, Macclesfield, Cheshire. SK10 4TG, United Kingdom

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/ci100084s

Reference31 articles.

1. Matched Molecular Pairs as a Guide in the Optimization of Pharmaceutical Properties; a Study of Aqueous Solubility, Plasma Protein Binding and Oral Exposure

2. Matched molecular pair analysis of activity and properties of glycogen phosphorylase inhibitors

3. Structural pairwise comparisons of HLM stability of phenyl derivatives: Introduction of the Pfizer metabolism index (PMI) and metabolism-lipophilicity efficiency (MLE)

4. A Mathematical Contribution to Structure-Activity Studies

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