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SAR and QSAR in Environmental Research Volume 11, 2000 - Issue 1
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Original Articles

Multiple Regression Analysis with Optimal Molecular Descriptors

M. Randic Department of Mathematics and Computer Science, Drake University, Des Moines, IA, 50311, USA; National Institute of Chemistry, 1001, Ljubljana, POB 3430, Slovenia
&
S. C. Basak Natural Resources Research Institute, The University of Minnesota, 5013 Miller Trunk Highway, Duluth, MN, 55811, USA
Pages 1-23 | Received 17 Sep 1998, Accepted 28 Aug 1999, Published online: 24 Sep 2006

Citations (23)

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Read on this site (4)

M. Randić. (2015) On the history of the connectivity index: from the connectivity index to the exact solution of the protein alignment problem. SAR and QSAR in Environmental Research 26:7-9, pages 523-555.
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A.P. Toropova, A.A. Toropov & E. Benfenati. (2015) A quasi-QSPR modelling for the photocatalytic decolourization rate constants and cellular viability (CV%) of nanoparticles by CORAL. SAR and QSAR in Environmental Research 26:1, pages 29-40.
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D. Amić, S.C. Basak, B. Lučić, S. Nikolić & N. Trinajstić. (2002) Structure-water solubility modeling of aliphatic alcohols using the weighted path numbers. SAR and QSAR in Environmental Research 13:2, pages 281-295.
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N. Trinajstič, S. Nikolič, S.C. Basak & I. Lukovits. (2001) Distance Indices and Their Hyper-Counterparts: Intercorrelation and Use in the Structure-Property Modeling. SAR and QSAR in Environmental Research 12:1-2, pages 31-54.
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Articles from other publishers (19)

Seyedeh Azadeh Moosavi, Esmat Mohammadinasab & Tahereh Momeni Isfahani. (2023) Prediction of Partition Coefficient of Carbamates using GA-MLR and GAANN Methods, and Comparison with Experimental Data. Letters in Organic Chemistry 20:5, pages 481-493.
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Roberto Todeschini & Viviana Consonni. 2009. Molecular Descriptors for Chemoinformatics. Molecular Descriptors for Chemoinformatics 1 241 .
Sonja Nikolića, Ante Miličević, Nenad Trinajstić & Albin Jurić. (2004) On Use of the Variable Zagreb vM2 Index in QSPR: Boiling Points of Benzenoid Hydrocarbons. Molecules 9:12, pages 1208-1221.
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Matevž Pompe, Marjan Veber, Milan Randić & Alexandru Balaban. (2004) Using Variable and Fixed Topological Indices for the Prediction of Reaction Rate Constants of Volatile Unsaturated Hydrocarbons with OH Radicals. Molecules 9:12, pages 1160-1176.
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Gonzalo Cerruela García, Irene Luque Ruiz & Miguel Ángel Gómez-Nieto. (2004) Representation of the Molecular Topology of Cyclical Structures by Means of Cycle Graphs. 1. Extraction of Topological Properties. Journal of Chemical Information and Computer Sciences 44:2, pages 447-461.
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Qian-Nan Hu, Yi-Zeng Liang, Ya-Li Wang, Cheng-Jian Xu, Zhong-Da Zeng, Kai-Tai Fang, Xiao-Ling Peng & Yin Hong. (2003) External Factor Variable Connectivity Index. Journal of Chemical Information and Computer Sciences 43:3, pages 773-778.
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Pablo Duchowicz, Eduardo A Castro & Andrey A Toropov. (2002) Improved QSPR analysis of standard entropy of acyclic and aromatic compounds using optimized correlation weights of linear graph invariants. Computers & Chemistry 26:4, pages 327-332.
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Padmakar V. Khadikar, Shalini Singh & Anjali Shrivastava. (2002) Novel estimation of lipophilic behaviour of polychlorinated biphenyls. Bioorganic & Medicinal Chemistry Letters 12:7, pages 1125-1128.
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Andrey A. Toropov & Alla P. Toropova. (2002) QSAR modeling of toxicity on optimization of correlation weights of Morgan extended connectivity. Journal of Molecular Structure: THEOCHEM 578:1-3, pages 129-134.
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Milan Randić & Jure Zupan. 2002. Topology in Chemistry. Topology in Chemistry 249 291 .
Subhash C. Basak, Denise Mills, Brian D. Gute, Gregory D. Grunwald & Alexandru T. Balaban. 2002. Topology in Chemistry. Topology in Chemistry 113 184 .
Paul G. Seybold. 2002. Advances in Quantative Structure - Property Relationships Volume 3. Advances in Quantative Structure - Property Relationships Volume 3 109 136 .
Milan Randić & Jure Zupan. 2002. Topology in Chemistry. Topology in Chemistry 249 291 .
Subhash C. Basak, Denise Mills, Brian D. Gute, Gregory D. Grunwald & Alexandru T. Balaban. 2002. Topology in Chemistry. Topology in Chemistry 113 184 .
Milan Randić. (2001) The connectivity index 25 years after. Journal of Molecular Graphics and Modelling 20:1, pages 19-35.
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Milan Randić & Subhash C. Basak. (2001) A New Descriptor for Structure−Property and Structure−Activity Correlations. Journal of Chemical Information and Computer Sciences 41:3, pages 650-656.
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Milan Randić. (2001) Novel Shape Descriptors for Molecular Graphs. Journal of Chemical Information and Computer Sciences 41:3, pages 607-613.
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Milan Randić & Matevž Pompe. (2001) The Variable Molecular Descriptors Based on Distance Related Matrices. Journal of Chemical Information and Computer Sciences 41:3, pages 575-581.
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Milan Randić & Jure Zupan. (2001) On Interpretation of Well-Known Topological Indices. Journal of Chemical Information and Computer Sciences 41:3, pages 550-560.
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