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• W2022204730 endingPage "1574" @default.
• W2022204730 startingPage "1564" @default.
• W2022204730 abstract "The search for structural subunits that affect compound toxicity cannot be manually performed on large databases. In addition, the a priori definition of important groups is impossible. Structural diversity requires the analysis of the complete data space and the selection of the details there present. A single substructure cannot be considered sufficient when assigning compound toxicity. In contrast, if we consider all the substructures in the database as the elements of a complete collection and if we can build a working hierarchy, the identification of the best feasible result using the available data is possible. If the database includes several significant examples, the results will be valuable. The use of a fragment-based description of a mutagenicity database together with the realization of a general hierarchy allows for the identification of the moieties that control the toxifying/detoxifying action of each compound." @default.
• W2022204730 created "2016-06-24" @default.
• W2022204730 creator A5021012316 @default.
• W2022204730 creator A5058133879 @default.
• W2022204730 creator A5070893925 @default.
• W2022204730 date "2011-06-28" @default.
• W2022204730 modified "2023-10-14" @default.
• W2022204730 title "Identification of Toxifying and Detoxifying Moieties for Mutagenicity Prediction by Priority Assessment" @default.
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• W2022204730 doi "https://doi.org/10.1021/ci200075g" @default.
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