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- W11195799 abstract "Large data bases of crystal structures available today provide prospects for data mining. In this chapter we will demonstrate the derivation of an empirical force field from an experimental data base and its application to the most challenging problems to be solved in structural organic crystallography, e.g. estimation of sublimation energy, crystal structure prediction, and crystal engineering. Another example of data mining given in the chapter – the clustering of crystal structures. This approach allows for the recognition of similarities between crystals and for the removal of manifold entrances in virtual and experimental databases." @default.
- W11195799 created "2016-06-24" @default.
- W11195799 creator A5029948049 @default.
- W11195799 date "2009-01-01" @default.
- W11195799 modified "2023-09-26" @default.
- W11195799 title "Data Mining in Organic Crystallography" @default.
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- W11195799 doi "https://doi.org/10.1007/978-3-642-04759-6_4" @default.
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