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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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Bibliografiske detaljer
Udgivet i:Molecules
Main Authors: Ji, Shu-Shen, Dong, Hong-Ju, Zhou, Xin-Xin, Liu, Ya-Min, Zhang, Feng-Xue, Wang, Qi, Huang, Xin-An
Format: Artigo
Sprog:Inglês
Udgivet: MDPI 2015
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6272706/
https://ncbi.nlm.nih.gov/pubmed/25988610
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules20058791
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