Matched Molecular Pair Analysis: Significance and the Impact of Experimental Uncertainty-Reference-Cited by-同舟云学术

Matched Molecular Pair Analysis: Significance and the Impact of Experimental Uncertainty

Published:2014-04-16 Issue:9 Volume:57 Page:3786-3802
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

Kramer Christian¹,Fuchs Julian E.¹,Whitebread Steven²,Gedeck Peter³,Liedl Klaus R.¹

Affiliation:

1. Department of Theoretical Chemistry, Faculty for Chemistry and Pharmacy, Center for Molecular Biosciences Innsbruck (CMBI), Leopold-Franzens University Innsbruck, Innrain 80/82, A-6020 Innsbruck, Austria

2. Preclinical Safety Profiling, Center for Proteomic Chemistry, Novartis Institutes for BioMedical Research, 250 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States

3. Novartis Institute for Tropical Diseases, 10 Biopolis Road, No. 05-01 Chromos, Singapore 138670, Singapore

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/jm500317a

Reference92 articles.

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

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

3. Structure Modification in Chemical Databases

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

5. Matched Molecular Pair Analysis in drug discovery

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