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Updated: Apr 24, 2026

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
Published on: June 6, 2025
Network measures for chemical library design
Nagamani Sukumar1, Michael P Krein, Ganesh Prabhu
1Department of Chemistry, Shiv Nadar University, Dadri, Gautam Budh Nagar, U.P., 201314, India; Center for Informatics, Shiv Nadar University, Dadri, Gautam Budh Nagar, U.P., 201314, India.
Abstract:
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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