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Research Journal of Pharmacy and Technology
Year : 2018, Volume : 11, Issue : 4
First page : ( 1375) Last page : ( 1377)
Print ISSN : 0974-3618. Online ISSN : 0974-360X.
Article DOI : 10.5958/0974-360X.2018.00256.1

Applications of Graph Theory in Molecular Similarity Measurements

Kamath Venkatesh1, Pai Aravinda2,*

1Department of Pharmaceutical Biotechnology, Manipal College of Pharmaceutical Sciences, Manipal Academy of Higher Education, Manipal, 576104, Karnataka, India

2 Department of Pharmaceutical Chemistry, Manipal College of Pharmaceutical Sciences, Manipal Academy of Higher Education, Manipal, 576104, Karnataka, India

*Corresponding Author E-mail: pai.aravind@gmail.com

Online published on 24 July, 2018.

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.

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Keywords

Molecular similarity, Finger prints, coefficients, drug design.

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