Turbocharging Matched Molecular Pair Analysis: Optimizing the Identification and Analysis of Pairs-Reference-Cited by-同舟云学术

Turbocharging Matched Molecular Pair Analysis: Optimizing the Identification and Analysis of Pairs

Published:2017-10-02 Issue:10 Volume:57 Page:2424-2436
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Lukac Iva¹,Zarnecka Joanna¹,Griffen Edward J.²,Dossetter Alexander G.²,St-Gallay Stephen A.³,Enoch Steven J.¹,Madden Judith C.¹,Leach Andrew G.¹²^ORCID

Affiliation:

1. School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Byrom Street, Liverpool L3 3AF, U.K.

2. MedChemica Ltd., BioHub, Alderley Park, Macclesfield SK10 4TG, U.K.

3. Sygnature Discovery Ltd., Bio City, Pennyfoot Street, Nottingham NG1 1GF, U.K.

Funder

AstraZeneca

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/acs.jcim.7b00335

Reference49 articles.

1. How to improve R&D productivity: the pharmaceutical industry's grand challenge

2. Matched Molecular Pairs as a Medicinal Chemistry Tool

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

4. 3D Matched Pairs: Integrating Ligand- and Structure-Based Knowledge for Ligand Design and Receptor Annotation

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