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Crystallographic searches for weak interactions – the limitations of data mining

, and . Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 74 (4): 322--324 (Aug 1, 2018)
DOI: 10.1107/s2052520618007783

Abstract

Identification of weak non-covalent interactions by crystallographic searches in data bases such as CSD can be misleading, if they are based on an indiscriminate use of all kind of data; this is also a common problem in a data mining. Alternatives are the use of selected compounds as data base, for which chemistry provides many options.

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