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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Bibliografske podrobnosti
izdano v: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
Jezik:Inglês
Izdano: MDPI 2015
Teme:
Communication
Online dostop: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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