Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research

Abstract

ADVERTISEMENT RETURN TO ISSUEPerspectiveNEXTTrust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling ResearchDenis Fourches†, Eugene Muratov†‡, and Alexander Tropsha*†View Author Information Laboratory for Molecular Modeling, Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina 27599, and Laboratory of Theoretical Chemistry, Department of Molecular Structure, A.V. Bogatsky Physical-Chemical Institute NAS of Ukraine, Odessa, 65080, Ukraine* To whom correspondence should be addressed. E-mail: [email protected]†University of North Carolina at Chapel Hill.‡A.V. Bogatsky Physical-Chemical Institute NAS of Ukraine.Cite this: J. Chem. Inf. Model. 2010, 50, 7, 1189–1204Publication Date (Web):June 24, 2010Publication History Received5 May 2010Published online24 June 2010Published inissue 26 July 2010https://pubs.acs.org/doi/10.1021/ci100176xhttps://doi.org/10.1021/ci100176xreview-articleACS PublicationsCopyright © 2010 American Chemical SocietyRequest reuse permissionsArticle Views6405Altmetric-Citations559LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose SUBJECTS:Bioinformatics and computational biology,Chemical structure,Molecular structure,Software,Structure activity relationship Get e-Alerts