A Structural Hierarchy Matching Approach for Molecular Similarity/Substructure Searching

A Structural Hierarchy Matching Approach for Molecular Similarity/Substructure Searching

An approach for molecular similarity/substructure searching based on structural hierarchy matching is proposed. In this approach, small molecules are divided into two categories, acyclic and cyclic forms. The latter are further divided into three structural hierarchies, namely, framework, complicate...

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Bibliographic Details
Main Authors: Shu-Shen Ji, Hong-Ju Dong, Xin-Xin Zhou, Ya-Min Liu, Feng-Xue Zhang, Qi Wang, Xin-An Huang
Format: Article
Language:English
Published: MDPI AG 2015-05-01
Series:Molecules
Subjects:
similarity searching
substructure searching
structural hierarchies
Online Access:http://www.mdpi.com/1420-3049/20/5/8791

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