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- W1569307841 abstract "Screening is an essential function of chemical compound data bases or combinatorial libraries. Two version of screening are distinguished: searching the data base for compounds that either match or contain some user-specified compound of interest, the query compound. Both versions of screening – structure query and substructure query – are always understood in some approximative sense. Similarity notions for molecular graphs are given here in terms of graph Voronoi regions. These lead to certain shortest path lists and shortest path matrices to which retrieval algorithms refer." @default.
- W1569307841 created "2016-06-24" @default.
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- W1569307841 date "2004-01-01" @default.
- W1569307841 modified "2023-09-27" @default.
- W1569307841 title "Retrieval by Structure from Chemical Data Bases" @default.
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- W1569307841 doi "https://doi.org/10.1007/978-3-540-25967-1_8" @default.
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