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Bartosz Andrzej Grzybowski
첨단연성물질 연구단
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Linguistic measures of chemical diversity and the “keywords” of molecular collections

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Title
Linguistic measures of chemical diversity and the “keywords” of molecular collections
Author(s)
Michał Woźniak; Agnieszka Wołos; Urszula Modrzyk; Rafał L. Górski; Jan Winkowski; Michał Bajczyk; Sara Szymkuć; Bartosz A. Grzybowski; Maciej Eder
Publication Date
2018-11
Journal
SCIENTIFIC REPORTS, v.8, no.1, pp.7598 -
Publisher
NATURE PUBLISHING GROUP
Abstract
Computerized linguistic analyses have proven of immense value in comparing and searching through large text collections (“corpora”), including those deposited on the Internet – indeed, it would nowadays be hard to imagine browsing the Web without, for instance, search algorithms extracting most appropriate keywords from documents. This paper describes how such corpus-linguistic concepts can be extended to chemistry based on characteristic “chemical words” that span more than traditional functional groups and, instead, look at common structural fragments molecules share. Using these words, it is possible to quantify the diversity of chemical collections/databases in new ways and to define molecular “keywords” by which such collections are best characterized and annotated.
URI
https://pr.ibs.re.kr/handle/8788114/5074
ISSN
2045-2322
Appears in Collections:
Center for Soft and Living Matter(첨단연성물질 연구단) > Journal Papers (저널논문)
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2018_Bartosz_Scientific Reports.pdfDownload

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