Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
Abstract
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTComparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteinsRichard D. Cramer, David E. Patterson, and Jeffrey D. BunceCite this: J. Am. Chem. Soc. 1988, 110, 18, 5959–5967Publication Date (Print):August 1, 1988Publication History Published online1 May 2002Published inissue 1 August 1988https://pubs.acs.org/doi/10.1021/ja00226a005https://doi.org/10.1021/ja00226a005research-articleACS PublicationsRequest reuse permissionsArticle Views4288Altmetric-Citations3342LEARN 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 (1)»Supporting Information Supporting Information Get e-Alerts
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Claims other papers make about this one
Each is checked against this paper’s own text: does it say what the citing paper says it does?
Comparative Molecular Field Analysis (CoMFA) was extremely successful because of its visual appeal, making clear where and how to modify a molecule to increase its activity.
“Comparative Molecular Field Analysis (CoMFA)42 was extremely successful because of its visual appeal – it was clear where and how to modify a molecule to increase its activity.”
From QSAR without borders (2020) · cites this paper as [42]
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Cited by
Sorted by citations
Golbraikh, A., & Tropsha, A. (2002) · Journal of Molecular Graphics and Modelling · doi:10.1016/s1093-3263(01)00123-1 · Cited by 3,735 · see citing works
Solving the multiple instance problem with axis-parallel rectangles
Dietterich, T. G., Lathrop, R. H., & Lozano-Pérez, T. (1997) · Artificial Intelligence · doi:10.1016/s0004-3702(96)00034-3 · Cited by 2,866 · see citing works
QSAR Modeling: Where have you been? Where are you going to?
Cherkasov, A., Muratov, E. N., Fourches, D., Varnek, A., Baskin, I. I., Cronin, M., Dearden, J., Gramatica, P., Martin, Y. C., Todeschini, R., et al. (2014) · Journal of Medicinal Chemistry · doi:10.1021/jm4004285 · Cited by 2,164 · see citing works
Self-citationMuratov, E. N., Bajorath, J., Sheridan, R. P., Tetko, I. V., Filimonov, D., Poroikov, V., Oprea, T. I., Baskin, I. I., Varnek, A., Roitberg, A., et al. (2020) · Chemical Society Reviews · doi:10.1039/d0cs00098a · Cited by 913 · see citing works
Role of computer-aided drug design in modern drug discovery
Macalino, S. J. Y., Gosu, V., Hong, S., & Choi, S. (2015) · Archives of Pharmacal Research · doi:10.1007/s12272-015-0640-5 · Cited by 762 · see citing works
QSAR and 3D QSAR in drug design Part 1: methodology
Kubinyi, H. (1997) · Drug Discovery Today · doi:10.1016/s1359-6446(97)01079-9 · Cited by 357 · see citing works
Nandy, A., Duan, C., Taylor, M. G., Liu, F., Steeves, A. H., & Kulik, H. J. (2021) · Chemical Reviews · doi:10.1021/acs.chemrev.1c00347 · Cited by 358 · see citing works
Bender, A., Mussa, H. Y., Glen, R. C., & Reiling, S. (2004) · Journal of Chemical Information and Computer Sciences · doi:10.1021/ci0498719 · Cited by 322 · see citing works
Interpretation of Quantitative Structure-Activity Relationship Models: Past, Present, and Future
Polishchuk, P. (2017) · Journal of Chemical Information and Modeling · doi:10.1021/acs.jcim.7b00274 · Cited by 236 · see citing works
Myint, K.-Z., Wang, L., Tong, Q., & Xie, X.-Q. (2012) · Molecular Pharmaceutics · doi:10.1021/mp300237z · Cited by 139 · see citing works
An Evolutionary Algorithm for <i>de Novo</i> Optimization of Functional Transition Metal Compounds
Chu, Y., Heyndrickx, W., Occhipinti, G., Jensen, V. R., & Alsberg, B. K. (2012) · Journal of the American Chemical Society · doi:10.1021/ja300865u · Cited by 90 · see citing works
An automated PLS search for biologically relevant QSAR descriptors
Olah, M., Bologa, C., & Oprea, T. I. (2004) · Journal of Computer-Aided Molecular Design · doi:10.1007/s10822-004-4060-8 · Cited by 91 · see citing works
Machine Learning Approach for Prediction of Reaction Yield with Simulated Catalyst Parameters
Yada, A., Nagata, K., Ando, Y., Matsumura, T., Ichinoseki, S., & Sato, K. (2018) · Chemistry Letters · doi:10.1246/cl.171130 · Cited by 67 · see citing works
<i>Per Aspera Ad Astra</i> : Application of Simplex Qsar Approach in Antiviral Research
Muratov, E. N., Artemenko, A. G., Varlamova, E. V., Polischuk, P. G., Lozitsky, V. P., Fedchuk, A. S., Lozitska, R. L., Gridina, T. L., Koroleva, L. S., Sil’nikov, V. N., et al. (2010) · Future Medicinal Chemistry · doi:10.4155/fmc.10.194 · Cited by 64 · see citing works
Cherkasov, A., Ban, F., Santos-Filho, O., Thorsteinson, N., Fallahi, M., & Hammond, G. L. (2008) · Journal of Medicinal Chemistry · doi:10.1021/jm7011485 · Cited by 42 · see citing works
Martínez, S., Cruz, V. L., Ramos, J., & Martínez-Salazar, J. (2012) · Organometallics · doi:10.1021/om2007776 · Cited by 33 · see citing works
Myint, K. Z., & Xie, X.-Q. (2015) · Methods in molecular biology · doi:10.1007/978-1-4939-2239-0_9 · Cited by 21 · see citing works
- Authors
- Cramer, R. D., Patterson, D. E., & Bunce, J. D.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 1988-08
- Volume
- 110
- Issue
- 18
- Pages
- 5959-5967
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2063060349
- Cited by
- 3,931
- References
- 0
- Citations by year
- 2026: 31 · 2025: 44 · 2024: 59 · 2023: 68 · 2022: 78 · 2021: 102 · 2020: 88 · 2019: 112 · 2018: 121 · 2017: 122 · 2016: 125 · 2015: 142 · 2014: 141 · 2013: 164 · 2012: 178
- FWCI
- 16.28
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- Journal of the American Chemical Society (publishedVersion)
- PubMed (publishedVersion)
- Topics
- Physical Sciences › Computer Science › Computational Theory and Mathematics › Computational Drug Discovery Methods
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Protein Interaction Studies and Fluorescence Analysis
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Protein Structure and Dynamics
- Keywords
- CoMFA, steroid binding, carrier proteins, molecular geometry, steroid-protein binding, molecular shape 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 ›
Are you an author, or do you see a problem with this page? Request a review