Applications of graph theory in molecular similarity measurements

Pai, Aravinda and Kamath, Venkatesh B (2018) Applications of graph theory in molecular similarity measurements. Research Journal of Pharmacy and Technology, 11 (4). pp. 1375-1377. ISSN 0974-3618

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In the present review, the application of finger-print based molecular similarity applications and their role in drug design is discussed briefly. Finger-print based molecular similarity methods are gaining importance in the modern drug discovery owing to their statistical accuracy and reliable predictivity. Some of the important similarity coefficients and 2D fingerprinting techniques are also briefly discussed.

Item Type: Article
Uncontrolled Keywords: Molecular similarity; finger prints; coefficients; drug design.
Subjects: Pharmacy > MCOPS Manipal > Pharmaceutical Biotechnology
Pharmacy > MCOPS Manipal > Pharmaceutical Chemistry
Depositing User: KMC Library
Date Deposited: 16 Jul 2018 08:54
Last Modified: 16 Jul 2018 08:54

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