QSPR Modeling for Solubility of Fullerene (C60) in Organic Solvents † (Unknown)
- New search for: Sivaraman, N.
- New search for: Srinivasan, T. G.
- New search for: Vasudeva Rao, P. R.
- New search for: Natarajan, R.
- New search for: Sivaraman, N.
- New search for: Srinivasan, T. G.
- New search for: Vasudeva Rao, P. R.
- New search for: Natarajan, R.
In:
Journal of Chemical Information and Computer Sciences
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41
, 4
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1067-1074
;
2001
- Article (Journal) / Electronic Resource
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Title:QSPR Modeling for Solubility of Fullerene (C60) in Organic Solvents †
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Additional title:J. Chem. Inf. Comput. Sci.
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Contributors:Sivaraman, N. ( author ) / Srinivasan, T. G. ( author ) / Vasudeva Rao, P. R. ( author ) / Natarajan, R. ( author )
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Published in:Journal of Chemical Information and Computer Sciences ; 41, 4 ; 1067-1074
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Publisher:
- New search for: American Chemical Society
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Publication date:2001-07-23
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ISSN:
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Coden:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:Unknown
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Source:
Table of contents – Volume 41, Issue 4
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 867
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CHEMICAL INFORMATION - Topological Indices Based on Vertex, Distance, and Ring: On the Boiling Points of Paraffins and CycloalkanesCao, Chenzhong et al. | 2001
- 867
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Topological Indices Based on Vertex, Distance, and Ring: On the Boiling Points of Paraffins and CycloalkanesCao, Chenzhong / Yuan, Hua et al. | 2001
- 878
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A Bibliometric Study on Chemical Information and Computer Sciences Focusing on Literature of JCICSOnodera, Natsuo et al. | 2001
- 878
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CHEMICAL INFORMATION - A Bibliometric Study on Chemical Information and Computer Sciences Focusing on Literature of JCICSOnodera, Natsuo et al. | 2001
- 889
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A Novel Formalism To Characterize the Degree of Unsaturation of Organic MoleculesBadertscher, Martin / Bischofberger, Kaspar / Munk, Morton E. / Pretsch, Ernö et al. | 2001
- 889
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CHEMICAL COMPUTATION - A Novel Formalism To Characterize the Degree of Unsaturation of Organic MoleculesBadertscher, Martin et al. | 2001
- 894
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Stochastic Generator of Chemical Structure. 3. Reaction Network GenerationFaulon, Jean-Loup / Sault, Allen G. et al. | 2001
- 894
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CHEMICAL COMPUTATION - Stochastic Generator of Chemical Structure. 3. Reaction Network GenerationFaulon, Jean-Loup et al. | 2001
- 909
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A Dissipative Exponentially-Fitted Method for the Numerical Solution of the Schrödinger EquationSimos, T. E. et al. | 2001
- 909
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CHEMICAL COMPUTATION - A Dissipative Exponentially-Fitted Method for the Numerical Solution of the Schrödinger EquationSimos, T.E. et al. | 2001
- 918
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Applying the Concept of Partially Ordered Sets on the Ranking of Near-Shore Sediments by a Battery of TestsBrüggemann, Rainer / Halfon, Efraim / Welzl, Gerhard / Voigt, Kristina / Steinberg, Christian E. W. et al. | 2001
- 918
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CHEMICAL COMPUTATION - Applying the Concept of Partially Ordered Sets on the Ranking of Near-Shore Sediments by a Battery of TestsBrüggemann, Rainer et al. | 2001
- 926
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Iterated Reaction Graphs: Simulating Complex Maillard Reaction PathwaysPatel, Shail / Rabone, Jeremy / Russell, Stephen / Tissen, Jos / Klaffke, Werner et al. | 2001
- 926
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CHEMICAL COMPUTATION - Iterated Reaction Graphs: Simulating Complex Maillard Reaction PathwaysPatel, Shail et al. | 2001
- 934
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CHEMICAL COMPUTATION - A Novel PI Index and Its Applications to QSPR-QSAR StudiesKhadikar, Padmakar V. et al. | 2001
- 934
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A Novel PI Index and Its Applications to QSPR/QSAR StudiesKhadikar, Padmakar V. / Karmarkar, Sneha / Agrawal, Vijay K. et al. | 2001
- 950
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Monte Carlo Methods for Small Molecule High-Throughput ExperimentationChen, Ligang / Deem, Michael W. et al. | 2001
- 950
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CHEMICAL COMPUTATION - Monte Carlo Methods for Small Molecule High-Throughput ExperimentationChen, Ligang et al. | 2001
- 958
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CHEMICAL COMPUTATION - A Linear Algorithm for the Hyper-Wiener Index of Chemical TreesAringhieri, Roberto et al. | 2001
- 958
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A Linear Algorithm for the Hyper-Wiener Index of Chemical TreesAringhieri, Roberto / Hansen, Pierre / Malucelli, Federico et al. | 2001
- 964
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CHEMICAL COMPUTATION - Exhaustive Generation of Organic Isomers. 6. Stereoisomers Having Isolated and Spiro Cycles and New Extended N-TuplesContreras, M.L. et al. | 2001
- 964
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Exhaustive Generation of Organic Isomers. 6. Stereoisomers Having Isolated and Spiro Cycles and New Extended N_TuplesContreras, M. L. / Alvarez, J. / Riveros, M. / Arias, G. / Rozas, R. et al. | 2001
- 978
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Identification of Active Molecular Sites Using Quantum-Self-Similarity MeasuresAmat, Lluís / Besalú, Emili / Carbó-Dorca, Ramon / Ponec, Robert et al. | 2001
- 978
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CHEMICAL COMPUTATION - Identification of Active Molecular Sites Using Quantum-Self-Similarity MeasuresAmat, Lluis et al. | 2001
- 992
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CHEMICAL COMPUTATION - A New Approach to Near-Infrared Spectral Data Analysis Using Independent Component AnalysisChen, J. et al. | 2001
- 992
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A New Approach to Near-Infrared Spectral Data Analysis Using Independent Component AnalysisChen, J. / Wang, X. Z. et al. | 2001
- 1002
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Quest for Molecular Graphs with Maximal Energy: A Computer ExperimentGutman, Ivan / Vidović, Dušica et al. | 2001
- 1002
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CHEMICAL COMPUTATION - Quest for Molecular Graphs with Maximal Energy: A Computer ExperimentGutman, Ivan et al. | 2001
- 1006
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CAGE: Software for a Critical Analysis of 2H Spin−Lattice Relaxation in Liquid CrystalsCalucci, Lucia / Geppi, Marco et al. | 2001
- 1006
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CHEMICAL COMPUTATION - CAGE: Software for a Critical Analysis of 2H Spin-Lattice Relaxation in Liquid CrystalsCalucci, Lucia et al. | 2001
- 1015
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Can 3D Structural Parameters Be Predicted from 2D (Topological) Molecular Descriptors?Estrada, Ernesto / Molina, Enrique / Perdomo-López, Iliana et al. | 2001
- 1015
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CHEMICAL COMPUTATION - Can 3D Structural Parameters Be Predicted from 2D (Topological) Molecular Descriptors?Estrada, Ernesto et al. | 2001
- 1022
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CHEMICAL COMPUTATION - QSAR for Boiling Points of "Small" Sulfides. Are the "High-Quality Structure-Property-Activity Regressions" the Real High Quality QSAR Models?Zefirov, N.S. et al. | 2001
- 1022
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QSAR for Boiling Points of “Small” Sulfides. Are the “High-Quality Structure-Property-Activity Regressions” the Real High Quality QSAR Models?Zefirov, N. S. / Palyulin, V. A. et al. | 2001
- 1028
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CHEMICAL COMPUTATION - Helium 4 Dimer in NanotubesVranjes, L. et al. | 2001
- 1028
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Helium 4 Dimer in NanotubesVranješ, L. / Antunović, Ž. / Kilić, S. et al. | 2001
- 1032
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CHEMICAL COMPUTATION - 3D QSAR Analyses of Novel Tyrosine Kinase Inhibitors Based on Pharmacophore AlignmentZhu, L.L. et al. | 2001
- 1032
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3D QSAR Analyses of Novel Tyrosine Kinase Inhibitors Based on Pharmacophore AlignmentZhu, L. L. / Hou, T. J. / Chen, L. R. / Xu, X. J. et al. | 2001
- 1041
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Modeling Boiling Points of Cycloalkanes by Means of Iterated Line Graph SequencesTomović, Željko / Gutman, Ivan et al. | 2001
- 1041
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CHEMICAL COMPUTATION - Modeling Boiling Points of Cycloalkanes by Means of Iterated Line Graph SequencesTomovic, Zeljko et al. | 2001
- 1046
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CHEMICAL COMPUTATION - SIRS-SS: A System for Simulating IR-Raman Spectra. 1. Substructure-Subspectrum CorrelationYao, Jianhua et al. | 2001
- 1046
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SIRS-SS: A System for Simulating IR/Raman Spectra. † 1. Substructure/Subspectrum CorrelationYao, Jianhua / Fan, Botao / Doucet, Jean-Pierre / Panaye, Annick / Yuan, Shengang / Li, Jianfeng et al. | 2001
- 1053
-
CHEMICAL COMPUTATION - A Temperature-Dependent Quantum Mechanical-Neural Net Model for Vapor PressureChalk, Andrew J. et al. | 2001
- 1053
-
A Temperature-Dependent Quantum Mechanical/Neural Net Model for Vapor PressureChalk, Andrew J. / Beck, Bernd / Clark, Timothy et al. | 2001
- 1060
-
Differential Shannon Entropy as a Sensitive Measure of Differences in Database Variability of Molecular DescriptorsGodden, Jeffrey W. / Bajorath, Jürgen et al. | 2001
- 1060
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CHEMICAL COMPUTATION - Differential Shannon Entropy as a Sensitive Measure of Differences in Database Variability of Molecular DescriptorsGodden, Jeffrey W. et al. | 2001
- 1067
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QSPR Modeling for Solubility of Fullerene (C60) in Organic Solvents †Sivaraman, N. / Srinivasan, T. G. / Vasudeva Rao, P. R. / Natarajan, R. et al. | 2001
- 1067
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CHEMICAL COMPUTATION - QSPR Modeling for Solubility of Fullerene (C60) in Organic SolventsSivaraman, N. et al. | 2001
- 1075
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Design and Development of Computer-Aided Chemical Systems: Virtual Labs for Teaching Chemical Experiments in Undergraduate and Graduate CoursesLuque Ruiz, I. / López Espinosa, E. / Cerruela García, G. / Gómez-Nieto, M. A. et al. | 2001
- 1075
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CHEMICAL COMPUTATION - Design and Development of Computer-Aided Chemical Systems: Virtual Labs for Teaching Chemical Experiments in Undergraduate and Graduate CoursesRuiz, I.Luque et al. | 2001
- 1083
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CHEMICAL COMPUTATION - Use of Pruned Computational Neural Networks for Processing the Response of Oscillating Chemical Reactions with a View to Analyzing Nonlinear Multicomponent MixturesHervás, César et al. | 2001
- 1083
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Use of Pruned Computational Neural Networks for Processing the Response of Oscillating Chemical Reactions with a View to Analyzing Nonlinear Multicomponent MixturesHervás, César / Toledo, Rocío / Silva, Manuel et al. | 2001
- 1093
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ACD/I-Lab 4.5: An Internet Service ReviewMasunov, Artëm et al. | 2001
- 1093
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COMPUTER SOFTWARE REVIEWS - ACD-I-Lab 4.5: An Internet Service ReviewMasunov, Arte͏̈m et al. | 2001
- 1096
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Estimation of the Aqueous Solubility of Organic Molecules by the Group Contribution Approach J. Chem. Inf. Comput. Sci. 41, 439−455 (2001)Klopman, Gilles / Zhu, Hao et al. | 2001
- 1096
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ERRATA - Estimation of the Aqueous Solubility of Organic Molecules by the Group Contribution ApproachKlopman, Gilles et al. | 2001