Crystallographic searches for weak interactions – the limitations of data mining
H. Schneider, and IUCr. 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.
%0 Journal Article
%1 Schneider2018
%A Schneider, H. J.
%A IUCr,
%D 2018
%I International Union of Crystallography
%J Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials
%K data-mining litwatch weak-non-covalent-interactions
%N 4
%P 322--324
%R 10.1107/s2052520618007783
%T Crystallographic searches for weak interactions – the limitations of data mining
%U http://dx.doi.org/10.1107/s2052520618007783
%V 74
%X 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.
@article{Schneider2018,
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.}},
added-at = {2019-03-11T21:00:05.000+0100},
author = {Schneider, H. J. and IUCr},
biburl = {https://www.bibsonomy.org/bibtex/23716776103b5c6cb39186f767b5765e8/fairybasslet},
citeulike-article-id = {14598233},
citeulike-linkout-0 = {http://dx.doi.org/10.1107/s2052520618007783},
citeulike-linkout-1 = {http://scripts.iucr.org/cgi-bin/paper?S2052520618007783},
day = 01,
doi = {10.1107/s2052520618007783},
interhash = {81d562e0b1a67cb1891a41dca6891c28},
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issn = {2052-5206},
journal = {Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials},
keywords = {data-mining litwatch weak-non-covalent-interactions},
month = aug,
number = 4,
pages = {322--324},
posted-at = {2018-11-05 06:39:32},
priority = {2},
publisher = {International Union of Crystallography},
timestamp = {2019-03-11T21:06:37.000+0100},
title = {{Crystallographic searches for weak interactions – the limitations of data mining}},
url = {http://dx.doi.org/10.1107/s2052520618007783},
volume = 74,
year = 2018
}