DOI: 10.1021/ja9718937. Construction of 3D-QSAR Models Using the 4D-QSAR Analysis Formalism

Construction of 3D-QSAR Models Using the 4D-QSAR Analysis Formalism

10.1021/ja9718937

Crossref journal-article

American Chemical Society (ACS)

Journal of the American Chemical Society (316)

Bibliography

Hopfinger, A. J., Wang, S., Tokarski, J. S., Jin, B., Albuquerque, M., Madhav, P. J., & Duraiswami, C. (1997). Construction of 3D-QSAR Models Using the 4D-QSAR Analysis Formalism. Journal of the American Chemical Society, 119(43), 10509â10524.

Authors 7

A. J. Hopfinger (first)
Shen Wang (additional)
John S. Tokarski (additional)
Baiqiang Jin (additional)
Magaly Albuquerque (additional)
Prakash J. Madhav (additional)
Chaya Duraiswami (additional)

References 31 Referenced 348

{'key': 'ja9718937b00001/ja9718937b00001_1', 'volume-title': 'Methods and Applications', 'author': 'Drug Design', 'year': '1993'} / Methods and Applications by Drug Design (1993)
{'key': 'ja9718937b00002/ja9718937b00002_1', 'first-page': '285', 'volume': '16', 'author': 'Green S. M.', 'year': '1995', 'journal-title': 'Tips'} / Tips by Green S. M. (1995)
Hopfinger, A. J.; Tokarski, J. S. 3D-QSAR. inPractical Applications ofComputer-Aided Drug Design; Charifson, P. S., Ed.; Marcel Dekker: New York, Spring, 1997; p 106.
10.1021/ja00226a005 / J. Am. Chem. Soc. by Cramer R. D. (1988)
10.1021/jm00048a013 / III J. Med. Chem. by Hopfinger A. J. (1994)
10.1002/(SICI)1097-0282(199607)39:1<103::AID-BIP11>3.0.CO;2-H / Biopolymers by Huber T. (1996)
{'key': 'ja9718937b00007/ja9718937b00007_1', 'volume-title': 'User Guide, V.2.1', 'author': 'Doherty D. MOLSIM', 'year': '1994'} / User Guide, V.2.1 by Doherty D. MOLSIM (1994)
{'key': 'ja9718937b00008/ja9718937b00008_1', 'volume-title': 'Operating Instructions for MM2 and MMP2 Program - 1977', 'author': 'Allinger N. L.', 'year': '1980'} / Operating Instructions for MM2 and MMP2 Program - 1977 by Allinger N. L. (1980)
10.1002/jcc.540050510 / J. Comput. Chem. by Hopfinger A. J. (1984)
10.1016/0898-5529(89)90004-3 / Tetrahedron Comput. Methods by Glen W. G. (1989)
{'key': 'ja9718937b00010/ja9718937b00010_1', 'volume-title': 'Exploring QSAR Fundamentals and Applications in Chemistry and Biology', 'author': 'Hansch C.', 'year': '1995'} / Exploring QSAR Fundamentals and Applications in Chemistry and Biology by Hansch C. (1995)
{'key': 'ja9718937b00011/ja9718937b00011_1', 'volume-title': 'Adaptation in Artificial and Natural Systems', 'author': 'Holland J.', 'year': '1975'} / Adaptation in Artificial and Natural Systems by Holland J. (1975)
{'key': 'ja9718937b00012/ja9718937b00012_1', 'volume-title': 'D. The Proceedings of the Fourth International Conference on Genetic Algorithms; San Diego, CA', 'author': 'Rogers', 'year': '1991'} / D. The Proceedings of the Fourth International Conference on Genetic Algorithms; San Diego, CA by Rogers (1991)
10.1021/ci00020a020 / J. Chem. Inf. Computer Sci. by Rogers D. (1994)
10.1021/jm00042a006 / J. Med. Chem. by Walters D. E. (1994)
{'key': 'ja9718937b00015/ja9718937b00015_1', 'volume-title': 'General Treatments of Conformation and Alignments in Quantitative Structure−Activity Relationships', 'author': 'Duraiswami C.', 'year': '1996'} / General Treatments of Conformation and Alignments in Quantitative Structure−Activity Relationships by Duraiswami C. (1996)
10.1016/0090-6980(76)90030-7 / Prostaglandins by Fletcher D. G. (1976)
10.1021/jm00179a011 / J. Med. Chem. by Hayashi M. (1980)
{'key': 'ja9718937b00018/ja9718937b00018_1', 'volume-title': 'data supplied prior to submission for publication', 'author': 'Cardozo M. G.', 'year': '1996'} / data supplied prior to submission for publication by Cardozo M. G. (1996)
10.1021/jm00024a010 / J. Med. Chem. by Proudfoort J. R. (1995)
10.1021/jm960491r / J. Med. Chem. by Dunn W. J. (1996)
{'key': 'ja9718937b00021/ja9718937b00021_1', 'first-page': '327', 'volume-title': 'Computer-Aided Drug Design', 'author': 'Kuyper L. F.', 'year': '1989'} / Computer-Aided Drug Design by Kuyper L. F. (1989)
{'key': 'ja9718937b00022/ja9718937b00022_1', 'volume-title': 'Seiler Research Laboratory', 'author': 'Stewart J. J. P. MOPAC', 'year': '1990'} / Seiler Research Laboratory by Stewart J. J. P. MOPAC (1990)
{'key': 'ja9718937b00023/ja9718937b00023_1', 'volume-title': 'Release 3.51', 'author': 'Medicinal Chemistry Software', 'year': '1987'} / Release 3.51 by Medicinal Chemistry Software (1987)
{'key': 'ja9718937b00024/ja9718937b00024_1', 'volume-title': 'private communication', 'author': 'Rogers D.', 'year': '1996'} / private communication by Rogers D. (1996)
{'key': 'ja9718937b00024/ja9718937b00024_2', 'volume-title': 'Isolate Alternate Statistical Hypotheses of Experimental Data. In Proceedings of the Seventh International Conference on Genetic Algorithms; East Lansing, MI; Morgan-Kaufmann', 'author': 'Rogers D.', 'year': '1997'} / Isolate Alternate Statistical Hypotheses of Experimental Data. In Proceedings of the Seventh International Conference on Genetic Algorithms; East Lansing, MI; Morgan-Kaufmann by Rogers D. (1997)
{'key': 'ja9718937b00025/ja9718937b00025_1', 'volume-title': 'Principles of Medicinal Chemistry', 'author': 'Foye W. O.', 'year': '1989', 'edition': '2'} / Principles of Medicinal Chemistry by Foye W. O. (1989)
{'key': 'ja9718937b00026/ja9718937b00026_1', 'volume-title': 'private communication', 'author': 'Stanton D. T.', 'year': '1996'} / private communication by Stanton D. T. (1996)
{'key': 'ja9718937b00027/ja9718937b00027_1', 'volume-title': 'private communication', 'author': 'Cardozo M. G.', 'year': '1996'} / private communication by Cardozo M. G. (1996)
10.1016/0032-3861(89)90392-3 / J. Polymer by Koehler M. G. (1989)
10.1016/0014-5793(81)81030-7 / FEBS Lett. by Baker D. J. (1989)

Dates

Type	When
Created	23 years ago (July 26, 2002, 1:09 a.m.)
Deposited	3 years, 10 months ago (Oct. 3, 2021, 11:18 a.m.)
Indexed	3 weeks, 1 day ago (Aug. 2, 2025, 12:23 a.m.)
Issued	27 years, 10 months ago (Oct. 1, 1997)
Published	27 years, 10 months ago (Oct. 1, 1997)
Published Online	27 years, 9 months ago (Oct. 29, 1997)
Published Print	27 years, 10 months ago (Oct. 1, 1997)

Funders 0

None

BibTeX

@article{Hopfinger_1997, title={Construction of 3D-QSAR Models Using the 4D-QSAR Analysis Formalism}, volume={119}, ISSN={1520-5126}, url={http://dx.doi.org/10.1021/ja9718937}, DOI={10.1021/ja9718937}, number={43}, journal={Journal of the American Chemical Society}, publisher={American Chemical Society (ACS)}, author={Hopfinger, A. J. and Wang, Shen and Tokarski, John S. and Jin, Baiqiang and Albuquerque, Magaly and Madhav, Prakash J. and Duraiswami, Chaya}, year={1997}, month=oct, pages={10509–10524} }

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