Applications of graph theory in molecular similarity measurements

Venkatesh Kamath, Aravinda Pai

Research output: Contribution to journalArticle

Abstract

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.

Original languageEnglish
Pages (from-to)1375-1377
Number of pages3
JournalResearch Journal of Pharmacy and Technology
Volume11
Issue number4
DOIs
Publication statusPublished - 01-04-2018

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Drug Design
Drug Discovery

All Science Journal Classification (ASJC) codes

  • Pharmacology, Toxicology and Pharmaceutics (miscellaneous)
  • Pharmacology (medical)

Cite this

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Applications of graph theory in molecular similarity measurements. / Kamath, Venkatesh; Pai, Aravinda.

In: Research Journal of Pharmacy and Technology, Vol. 11, No. 4, 01.04.2018, p. 1375-1377.

Research output: Contribution to journalArticle

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