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SAR and QSAR in Environmental Research Volume 1, 1993 - Issue 1
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Original Articles

Molecular Shape as a Critical Factor in Structure-Property-Activity Studies

M. Randi[cgrave] Department of Mathematics and Computer Science, Drake University, Des Moines, Iowa, 5031, USA
&
P. G. Seybold Department of Chemistry, Wright State University, Dayton, Ohio, 45435, USA
Pages 77-85 | Accepted 31 Jul 1992, Published online: 24 Sep 2006

Citations (12)

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Read on this site (2)

M. Randic & S.C. Basak. (2000) Multiple Regression Analysis with Optimal Molecular Descriptors. SAR and QSAR in Environmental Research 11:1, pages 1-23.
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M. Randić & M. Pompe. (1999) On Characterization of the CC Double Bond in Alkenes. SAR and QSAR in Environmental Research 10:5, pages 451-471.
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Articles from other publishers (10)

Jane S. Murray, Paul G. Seybold, Rubin Battino & Peter Politzer. (2020) A general model for the solubilities of gases in liquids. Journal of Molecular Modeling 26:9.
Crossref
Roberto Todeschini & Viviana Consonni. 2009. Molecular Descriptors for Chemoinformatics. Molecular Descriptors for Chemoinformatics 1 241 .
Nitin S. Sapre, Nilanjana Pancholi, Swagata Gupta, Arun Sikrwar & Neelima Sapre. (2008) Molecular modelling studies on 2-amino 6-aryl-sulphonylbenzonitriles as non-nucleoside reverse transcriptase inhibitors of HIV-1: A QSPR approach. Journal of Chemical Sciences 119:6, pages 625-630.
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Stephen C. Peterangelo & Paul G. Seybold. (2003) Synergistic interactions among QSAR descriptors. International Journal of Quantum Chemistry 96:1, pages 1-9.
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Milan Randić & Marko Razinger. 2002. From Chemical Topology to Three-Dimensional Geometry. From Chemical Topology to Three-Dimensional Geometry 159 236 .
Milan Randić. (2001) The connectivity index 25 years after. Journal of Molecular Graphics and Modelling 20:1, pages 19-35.
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Roberto Todeschini & Viviana Consonni. 2000. Handbook of Molecular Descriptors. Handbook of Molecular Descriptors 524 667 .
Milan Randi?Jan Cz. Dobrowolski. (1998) Optimal molecular connectivity descriptors for nitrogen-containing molecules. International Journal of Quantum Chemistry 70:6, pages 1209-1215.
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Alan R. Katritzky, Lan Mu, Victor S. Lobanov & Mati Karelson. (1996) Correlation of Boiling Points with Molecular Structure. 1. A Training Set of 298 Diverse Organics and a Test Set of 9 Simple Inorganics. The Journal of Physical Chemistry 100:24, pages 10400-10407.
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Juan M. Luco, Lazaro J. Yamin & Hector F. Ferretti. (1995) Molecular Topology and Quantum Chemical Descriptors in the Study of Reversed-Phase Liquid Chromatography. Hydrogen-Bonding Behavior of Chalcones and Flavanones. Journal of Pharmaceutical Sciences 84:7, pages 903-908.
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