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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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| Главные авторы: | , |
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| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
Hindawi Publishing Corporation
2009
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| Предметы: | |
| Online-ссылка: | 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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