p-σ-π Analysis. A Method for the Correlation of Biological Activity and Chemical Structure
Abstract
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTp-σ-π Analysis. A Method for the Correlation of Biological Activity and Chemical StructureCorwin. Hansch and Toshio. FujitaCite this: J. Am. Chem. Soc. 1964, 86, 8, 1616–1626Publication Date (Print):April 1, 1964Publication History Published online1 May 2002Published inissue 1 April 1964https://pubs.acs.org/doi/10.1021/ja01062a035https://doi.org/10.1021/ja01062a035research-articleACS PublicationsRequest reuse permissionsArticle Views4630Altmetric-Citations1842LEARN 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 Get e-Alerts
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QSAR was the first systematic application of machine learning to design small molecules with desired properties.
“Developed from the work of Hansch and Fujita in the 1960s (77), QSAR was the first systematic application of machine learning to design small molecules with desired properties (78).”
From Artificial Intelligence for Drug Discovery: Are We There Yet? (2024) · cites this paper as [78]
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- Authors
- Hansch, C., & Fujita, T.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 1964-04
- Volume
- 86
- Issue
- 8
- Pages
- 1616-1626
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2052226480
- Cited by
- 2,313
- References
- 0
- Citations by year
- 2026: 66 · 2025: 59 · 2024: 56 · 2023: 67 · 2022: 64 · 2021: 57 · 2020: 59 · 2019: 35 · 2018: 59 · 2017: 52 · 2016: 59 · 2015: 57 · 2014: 51 · 2013: 75 · 2012: 72
- FWCI
- 13.98
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- Journal of the American Chemical Society (publishedVersion)
- Topics
- Physical Sciences › Computer Science › Computational Theory and Mathematics › Computational Drug Discovery Methods
- Physical Sciences › Chemistry › Organic Chemistry › Chemical Reaction Mechanisms
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Protein Interaction Studies and Fluorescence Analysis
- Keywords
- biological activity, molecular structure, structure-activity relationship, Hansch analysis, molecular descriptors, substituent effects
About these checks
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.
What counts as a claim ›How we measure confidence ›How we check this ›
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