Network Measures for Chemical Library Design
N. Sukumar, Michael P. Krein, Ganesh Prabhu, Sudeepto Bhattacharya, Subhabrata Sen · Drug Development Research · 2014
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.