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Exploring Activity Cliffs in Medicinal Chemistry: Miniperspective
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ADVERTISEMENT RETURN TO ISSUEPREVPerspectiveNEXTExploring Activity Cliffs in Medicinal ChemistryMiniperspectiveDagmar Stumpfe and Jürgen Bajorath*View Author Information Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Dahlmannstrasse 2, D-53113 Bonn, Germany*Phone: +49-228-2699-306. Fax: +49-228-2699-341. E-mail: [email protected]Cite this: J. Med. Chem. 2012, 55, 7, 2932–2942Publication Date (Web):January 11, 2012Publication History Received19 December 2011Published online27 January 2012Published inissue 12 April 2012https://pubs.acs.org/doi/10.1021/jm201706bhttps://doi.org/10.1021/jm201706breview-articleACS PublicationsCopyright © 2012 American Chemical SocietyRequest reuse permissionsArticle Views7119Altmetric-Citations273LEARN 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:Chemical structure,Inhibitors,Medicinal chemistry,Selectivity,Structure activity relationship Get e-Alerts
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Citations
Cites
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On Outliers and Activity CliffsWhy QSAR Often Disappoints
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Self-citationActivity Landscape Representations for Structure−Activity Relationship Analysis
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Zhu, T., Cao, S., Su, P.-C., Patel, R., Shah, D., Chokshi, H. B., Szukala, R., Johnson, M. E., & Hevener, K. E. (2013) · Journal of Medicinal Chemistry · doi:10.1021/jm301916b · Cited by 313
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Bai, Q., Liu, S., Tian, Y., Xu, T., Banegas‐Luna, A. J., Pérez‐Sánchez, H., Huang, J., Liu, H., & Yao, X. (2022) · WIREs Computational Molecular Science · doi:10.1002/wcms.1581 · Cited by 156
“31 Searching the large space 32 along with the discontinuous nature of the optimization domain of drugs, 33 represent a big challenge.”
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Navigating Transcriptomic Connectivity Mapping Workflows to Link Chemicals with Bioactivities
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Metadata
- Authors
- Stumpfe, D., & Bajorath, J.
- Venue
- Journal of Medicinal Chemistry
- Publisher
- American Chemical Society (ACS)
- Published
- 2012-01-27
- Volume
- 55
- Issue
- 7
- Pages
- 2932-2942
- ISSN
- 0022-2623 (ISSN-L)
- 1520-4804
- OpenAlex
- W330953206
- Cited by
- 374
- References
- 34
- FWCI
- 40.73
- Type
- journal article
- Language
- en
- Open access
- green
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