The DOI matches its Crossref record; 34 of the 34 references it cites were found in a registry or an index.
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
Extended-Connectivity Fingerprints
Rogers, D., & Hahn, M. (2010) · Journal of Chemical Information and Modeling · doi:10.1021/ci100050t · Cited by 7,524
Network pharmacology: the next paradigm in drug discovery
Hopkins, A. L. (2008) · Nature Chemical Biology · doi:10.1038/nchembio.118 · Cited by 4,622
ChEMBL: a large-scale bioactivity database for drug discovery
Gaulton, A., Bellis, L. J., Bento, A. P., Chambers, J., Davies, M., Hersey, A., Light, Y., McGlinchey, S., Michalovich, D., Al-Lazikani, B., et al. (2012) · Nucleic Acids Research · doi:10.1093/nar/gkr777 · Cited by 4,382
The Properties of Known Drugs. 1. Molecular Frameworks
Bemis, G. W., & Murcko, M. A. (1996) · Journal of Medicinal Chemistry · doi:10.1021/jm9602928 · Cited by 2,482
BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities
Liu, T., Lin, Y., Wen, X., Jorissen, R. N., & Gilson, M. K. (2007) · Nucleic Acids Research · doi:10.1093/nar/gkl999 · Cited by 2,124
On Outliers and Activity CliffsWhy QSAR Often Disappoints
Maggiora, G. M. (2006) · Journal of Chemical Information and Modeling · doi:10.1021/ci060117s · Cited by 728
Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs
Guha, R., & Van Drie, J. H. (2008) · Journal of Chemical Information and Modeling · doi:10.1021/ci7004093 · Cited by 360
Chemoinformatics in Drug Discovery
(2005) · Methods and Principles in Medicinal Chemistry · doi:10.1002/3527603743 · Cited by 268
SAR Index: Quantifying the Nature of Structure−Activity Relationships
Peltason, L., & Bajorath, J. (2007) · Journal of Medicinal Chemistry · doi:10.1021/jm0705713 · Cited by 201
Self-citationActivity Landscape Representations for Structure−Activity Relationship Analysis
Wassermann, A. M., Wawer, M., & Bajorath, J. (2010) · Journal of Medicinal Chemistry · doi:10.1021/jm100933w · Cited by 181
Self-citation
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Drug discovery with explainable artificial intelligence
Jiménez-Luna, J., Grisoni, F., & Schneider, G. (2020) · Nature Machine Intelligence · doi:10.1038/s42256-020-00236-4 · Cited by 1,063
Machine-learning approaches in drug discovery: methods and applications
Lavecchia, A. (2015) · Drug Discovery Today · doi:10.1016/j.drudis.2014.10.012 · Cited by 784
Molecular Similarity in Medicinal Chemistry: Miniperspective
Maggiora, G., Vogt, M., Stumpfe, D., & Bajorath, J. (2014) · Journal of Medicinal Chemistry · doi:10.1021/jm401411z · Cited by 666
Self-citationZhou, Y., Zhang, Y., Lian, X., Li, F., Wang, C., Zhu, F., Qiu, Y., & Chen, Y. (2022) · Nucleic Acids Research · doi:10.1093/nar/gkab953 · Cited by 665
Exposing the Limitations of Molecular Machine Learning with Activity Cliffs
van Tilborg, D., Alenicheva, A., & Grisoni, F. (2022) · Journal of Chemical Information and Modeling · doi:10.1021/acs.jcim.2c01073 · Cited by 337
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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