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A Similarity Search Using Molecular Topological Graphs

A molecular similarity measure has been developed using molecular topological graphs and atomic partial charges. Two kinds of topological graphs were used. One is the ordinary adjacency matrix and the other is a matrix which represents the minimum path length between two atoms of the molecule. The o...

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Enregistré dans:
Détails bibliographiques
Auteurs principaux: Fukunishi, Yoshifumi, Nakamura, Haruki
Format: Artigo
Langue:Inglês
Publié: Hindawi Publishing Corporation 2009
Sujets:
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC2796334/
https://ncbi.nlm.nih.gov/pubmed/20037730
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1155/2009/231780
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