N Sukumar - Network Measures for Chemical Library Design

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      Drug Development Research   75: 402–411   (2014)

      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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