Network Measures for Chemical Library Design

Preclinical Research In this overview, we examine recent developments in network approaches to drug design. A brief overview of networks is followed by a discussion of how chemical similarity networks and their properties address challenges in drug design. Multiple methods used to assess or enhance...

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Bibliographic Details
Published inDrug development research Vol. 75; no. 6; pp. 402 - 411
Main Authors Sukumar, Nagamani, Krein, Michael P., Prabhu, Ganesh, Bhattacharya, Sudeepto, Sen, Subhabrata
Format Journal Article
LanguageEnglish
Published United States Blackwell Publishing Ltd 01.09.2014
Wiley Subscription Services, Inc
Subjects
chemical networks
diversity
Drug Design
Drug Discovery - economics
Drug Discovery - methods
Models, Molecular
Molecular Docking Simulation
Proteins - chemistry
Quantitative Structure-Activity Relationship
similarity
Small Molecule Libraries
Software
diversity
drug design
chemical networks
similarity
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Summary:Preclinical Research In this overview, we examine recent developments in network approaches to drug design. A brief overview of networks is followed by a discussion of how chemical similarity networks and their properties address challenges in drug design. Multiple methods used to assess or enhance chemical diversity for early‐stage drug discovery are discussed, as well as methods that can be used for drug repositioning and ligand polypharmacology.
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ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 23
ISSN:0272-4391
1098-2299
DOI:10.1002/ddr.21218