A New Graph-Based Molecular Descriptor Using the Canonical Representation of the Molecule
نویسندگان
چکیده
منابع مشابه
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 descriptor (GBMD) is introduced. The GBMD is a new method of obtaining a rough description of 2D mo...
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ژورنال
عنوان ژورنال: The Scientific World Journal
سال: 2014
ISSN: 2356-6140,1537-744X
DOI: 10.1155/2014/286974