A New Graph-Based Molecular Descriptor Using the Canonical Representation of the Molecule

A New Graph-Based Molecular Descriptor Using the Canonical Representation of the Molecule

Molecular similarity is a pervasive concept in drug design. The basic idea underlying molecular similarity is the similar property principle, which states that structurally similar molecules will exhibit similar physicochemical and biological properties. In this paper, a new graph-based molecular de...

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Bibliographic Details
Main Authors:	Hamza Hentabli, Faisal Saeed, Ammar Abdo, Naomie Salim
Format:	Article
Language:	English
Published:	Hindawi Limited 2014-01-01
Series:	The Scientific World Journal
Online Access:	http://dx.doi.org/10.1155/2014/286974

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