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Computational Prediction of1H and13C Chemical Shifts: A Useful Tool for Natural Product, Mechanistic, and Synthetic Organic Chemistry

Lodewyk, Michael W., Siebert, Matthew R., Tantillo, Dean J.·2012·Chemical Reviews

DOI 10.1021/cr200106v

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ADVERTISEMENT RETURN TO ISSUEPREVReviewNEXTComputational Prediction of 1H and 13C Chemical Shifts: A Useful Tool for Natural Product, Mechanistic, and Synthetic Organic ChemistryMichael W. Lodewyk†, Matthew R. Siebert‡, and Dean J. Tantillo*†View Author Information† Department of Chemistry, University of California—Davis, Davis, California 95616, United States‡ Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409, United States*E-mail: [email protected]Cite this: Chem. Rev. 2012, 112, 3, 1839–1862Publication Date (Web):November 17, 2011Publication History Received7 April 2011Published online17 November 2011Published inissue 14 March 2012https://pubs.acs.org/doi/10.1021/cr200106vhttps://doi.org/10.1021/cr200106vreview-articleACS PublicationsCopyright © 2011 American Chemical SocietyRequest reuse permissionsArticle Views14348Altmetric-Citations997LEARN 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-AlertscloseSupporting Info (2)»Supporting Information Supporting Information SUBJECTS:Chemical calculations,Chemical structure,Molecular structure,Molecules,Solvents Get e-Alerts

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Alexandri, E., Ahmed, R., Siddiqui, H., Choudhary, M., Tsiafoulis, C., & Gerothanassis, I. (2017) · Molecules · doi:10.3390/molecules22101663 · Cited by 265
Finding Our Way in the Dark Proteome
Bhowmick, A., Brookes, D. H., Yost, S. R., Dyson, H. J., Forman-Kay, J. D., Gunter, D., Head-Gordon, M., Hura, G. L., Pande, V. S., Wemmer, D. E., et al. (2016) · Journal of the American Chemical Society · doi:10.1021/jacs.6b06543 · Cited by 128

See all 1,287

Authors: Lodewyk, M. W., Siebert, M. R., & Tantillo, D. J.
Venue: Chemical Reviews
Publisher: American Chemical Society (ACS)
Published: 2011-11-17
Volume: 112
Issue: 3
Pages: 1839-1862
ISSN: 0009-2665 (ISSN-L)
1520-6890
DOI: 10.1021/cr200106v
OpenAlex: W2053701172
Cited by: 1,287
References: 97
FWCI: 1.62
Type: journal article
Language: en
Open access: closed

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Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.

Statistics and arithmetic are recomputed, not judged.

Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.

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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.

Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).

Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.

Computational Prediction of1H and13C Chemical Shifts: A Useful Tool for Natural Product, Mechanistic, and Synthetic Organic Chemistry

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