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Chenzhong Cao , Hua Yuan : Topological Indices Based on Vertex, Distance, and Ring: On the Boiling Points of Paraffins and Cycloalkanes. J. Chem. Inf. Comput. Sci. 41 (4 ) : 867-877 (2001 )share record
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Andrew J. Chalk , Bernd Beck , Timothy Clark : A Quantum Mechanical/Neural Net Model for Boiling Points with Error Estimation. J. Chem. Inf. Comput. Sci. 41 (3 ) : 457-462 (2001 )export record
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Andrew J. Chalk , Bernd Beck , Timothy Clark : A Temperature-Dependent Quantum Mechanical/Neural Net Model for Vapor Pressure. J. Chem. Inf. Comput. Sci. 41 (4 ) : 1053-1059 (2001 )share record
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Sergei V. Trepalin , Alexander V. Yarkov : CheD: Chemical Database Compilation Tool, Internet Server, and Client for SQL Servers. J. Chem. Inf. Comput. Sci. 41 (1 ) : 100-107 (2001 )share record
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Ligang Chen , Michael W. Deem : Monte Carlo Methods for Small Molecule High-Throughput Experimentation. J. Chem. Inf. Comput. Sci. 41 (4 ) : 950-957 (2001 )export record
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M. Leonor Contreras , José Alvarez , M. Riveros , G. Arias , Roberto Rozas : Exhaustive Generation of Organic Isomers. 6. Stereoisomers Having Isolated and Spiro Cycles and New Extended N_Tuples. J. Chem. Inf. Comput. Sci. 41 (4 ) : 964-977 (2001 )share record
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Frank Cooke , Helen Schofield : A Framework for the Evaluation of Chemical Structure Databases. J. Chem. Inf. Comput. Sci. 41 (5 ) : 1131-1140 (2001 )export record
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Thomas R. Cundari , Henry A. Kurtz , Tie Zhou : Modeling Intermolecular Effects on Nonlinear Optical Properties of Transition-Metal Complexes. An Effective Core Potential Study. J. Chem. Inf. Comput. Sci. 41 (1 ) : 38-42 (2001 )export record
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Thomas R. Cundari , Marco Russo : Database Mining Using Soft Computing Techniques. An Integrated Neural Network-Fuzzy Logic-Genetic Algorithm Approach. J. Chem. Inf. Comput. Sci. 41 (2 ) : 281-287 (2001 )export record
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Stephen M. Danauskas , Peter C. Jurs : Prediction of C60 Solubilities from Solvent Molecular Structures. J. Chem. Inf. Comput. Sci. 41 (2 ) : 419-424 (2001 )share record
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Stephen A. Decker , Mariusz Klobukowski : Benchmarking of Model Core Potentials: Application to the Halogen Complexes of Group 4 Metals. J. Chem. Inf. Comput. Sci. 41 (1 ) : 1-7 (2001 )share record
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Michel Deza , Patrick W. Fowler , Viatcheslav P. Grishukhin : Allowed Boundary Sequences for Fused Polycyclic Patches and Related Algorithmic Problems. J. Chem. Inf. Comput. Sci. 41 (2 ) : 300-308 (2001 )share record
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Jerry Ray Dias : Further Developments in Determining the Number of Resonance Structures in Benzenoid Free Radicals: Analytical Expressions and Elementary Substructures. J. Chem. Inf. Comput. Sci. 41 (3 ) : 686-691 (2001 )share record
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Jerry Ray Dias , Gordon G. Cash : Determining the Number of Resonance Structures in Concealed Non-Kekuléan Benzenoid Hydrocarbons. J. Chem. Inf. Comput. Sci. 41 (1 ) : 129-133 (2001 )export record
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Ildikó Dióspatonyi , György Horvai , Tibor Braun : The Publication Speed of Information in Bibliographic Chemical Databases. J. Chem. Inf. Comput. Sci. 41 (6 ) : 1446-1451 (2001 )export record
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Ildikó Dióspatonyi , György Horvai , Tibor Braun : Publication Speed in Analytical Chemistry Journals. J. Chem. Inf. Comput. Sci. 41 (6 ) : 1452-1456 (2001 )share record
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Michael Dolg : Combined Pseudopotential and Density Functional Study of Bis-6-benzene d and f Element Complexes. J. Chem. Inf. Comput. Sci. 41 (1 ) : 18-21 (2001 )share record
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José S. Duca , Anton J. Hopfinger : Estimation of Molecular Similarity Based on 4D-QSAR Analysis: Formalism and Validation. J. Chem. Inf. Comput. Sci. 41 (5 ) : 1367-1387 (2001 )export record
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Laurent Dury , Thibaud Latour , Laurence Leherte , Frédéric Barberis , Daniel P. Vercauteren : A New Graph Descriptor for Molecules Containing Cycles. Application as Screening Criterion for Searching Molecular Structures within Large Databases of Organic Compounds. J. Chem. Inf. Comput. Sci. 41 (6 ) : 1437-1445 (2001 )share record
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Kenneth G. Dyall : Formal Analysis of Effective Core Potential Methods. J. Chem. Inf. Comput. Sci. 41 (1 ) : 30-37 (2001 )export record
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journals/jcisd/EkinsDSTLLW01 share record
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Sean Ekins , Gregory L. Durst , Robert E. Stratford , David A. Thorner , Richard A. Lewis , Richard J. Loncharich , James H. Wikel : Three-Dimensional Quantitative Structure-Permeability Relationship Analysis for a Series of Inhibitors of Rhinovirus Replication. J. Chem. Inf. Comput. Sci. 41 (6 ) : 1578-1586 (2001 )export record
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Niall J. English , Daniel G. Carroll : Prediction of Henry's Law Constants by a Quantitative Structure Property Relationship and Neural Networks. J. Chem. Inf. Comput. Sci. 41 (5 ) : 1150-1161 (2001 )share record
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Walter C. Ermler , Maria M. Marino : Nodeless Valence (Pseudo)spinors. J. Chem. Inf. Comput. Sci. 41 (1 ) : 77-82 (2001 )export record
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Kathryne Esperdy , Donald D. Shillady : Simulated Infrared Spectra of Ho(III) and Gd(III) Chlorides and Carboxylate Complexes Using Effective Core Potentials in GAMESS. J. Chem. Inf. Comput. Sci. 41 (6 ) : 1547-1552 (2001 )export record
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Ernesto Estrada , Enrique Molina Pérez : 3D Connectivity Indices in QSPR/QSAR Studies. J. Chem. Inf. Comput. Sci. 41 (3 ) : 791-797 (2001 )export record
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Ernesto Estrada , Enrique Molina Pérez , Iliana Perdomo-López : Can 3D Structural Parameters Be Predicted from 2D (Topological) Molecular Descriptors? J. Chem. Inf. Comput. Sci. 41 (4 ) : 1015-1021 (2001 )export record
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Ernesto Estrada , Iliana Perdomo-López , Juan J. Torres-Labandeira : Combination of 2D-, 3D-Connectivity and Quantum Chemical Descriptors in QSPR. Complexation of - and -Cyclodextrin with Benzene Derivatives. J. Chem. Inf. Comput. Sci. 41 (6 ) : 1561-1568 (2001 )share record
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Jean-Loup Faulon , Allen G. Sault : Stochastic Generator of Chemical Structure. 3. Reaction Network Generation. J. Chem. Inf. Comput. Sci. 41 (4 ) : 894-908 (2001 )share record
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Miklos Feher , Jonathan M. Schmidt : Metric and Multidimensional Scaling: Efficient Tools for Clustering Molecular Conformations. J. Chem. Inf. Comput. Sci. 41 (2 ) : 346-353 (2001 )export record
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Bradley P. Feuston , Michael D. Miller , J. Christopher Culberson , Robert B. Nachbar , Simon K. Kearsley : Comparison of Knowledge-Based and Distance Geometry Approaches for Generation of Molecular Conformations. J. Chem. Inf. Comput. Sci. 41 (3 ) : 754-763 (2001 )