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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Detalhes bibliográficos
Main Authors: Shu-Shen Ji, Hong-Ju Dong, Xin-Xin Zhou, Ya-Min Liu, Feng-Xue Zhang, Qi Wang, Xin-An Huang
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI AG 2015-05-01
Colecção:Molecules
Assuntos:
similarity searching
substructure searching
structural hierarchies
Acesso em linha:http://www.mdpi.com/1420-3049/20/5/8791
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