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Power Keys: A Novel Class of Topological Descriptors Based on Exhaustive Subgraph Enumeration and their Application in Substructure Searching

Pu Liu, Dimitris K. Agrafiotis, Dmitrii N. Rassokhin. Power Keys: A Novel Class of Topological Descriptors Based on Exhaustive Subgraph Enumeration and their Application in Substructure Searching. Journal of Chemical Information and Computer Sciences, 51(11):2843-2851, 2011. [doi]

Authors

Pu Liu

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Dimitris K. Agrafiotis

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Dmitrii N. Rassokhin

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