Volume 38,
Number 1 January 1998
- Cao Chenzhong, Li Zhiliang:
Molecular Polarizability. 1. Relationship to Water Solubility of Alkanes and Alcohols.
1-7
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- Marina S. Molchanova, Nikolai S. Zefirov:
Irredundant Generation of Isomeric Molecular Structures with Some Known Fragments.
8-22
Electronic Edition (link) BibTeX
- Ernesto Estrada:
Spectral Moments of the Edge Adjacency Matrix in Molecular Graphs. 3. Molecules Containing Cycles.
23-27
Electronic Edition (link) BibTeX
- Alan R. Katritzky, Victor S. Lobanov, Mati Karelson:
Normal Boiling Points for Organic Compounds: Correlation and Prediction by a Quantitative Structure-Property Relationship.
28-41
Electronic Edition (link) BibTeX
- Sonja Nikolic, Nenad Trinajstic, Ivo Baucic:
Comparison between the Vertex- and Edge-Connectivity Indices for Benzenoid Hydrocarbons.
42-46
Electronic Edition (link) BibTeX
- Frank R. Burden:
Holographic Neural Networks as Nonlinear Discriminants for Chemical Applications.
47-53
Electronic Edition (link) BibTeX
- Seymour B. Elk:
The Distinction between Terminology versus Orismology and Its Application to Mathematical Chemistry.
54-57
Electronic Edition (link) BibTeX
- Gordon G. Cash:
A Simple Means of Computing the Kekulé Structure Count for Toroidal Polyhex Fullerenes.
58-61
Electronic Edition (link) BibTeX
- Onn Chan, Ivan Gutman, Tao-Kai Lam, Russell Merris:
Algebraic Connections between Topological Indices.
62-65
Electronic Edition (link) BibTeX
- Edward C. Kirby, P. Pollak:
How To Enumerate the Connectional Isomers of a Toroidal Polyhex Fullerene.
66-70
Electronic Edition (link) BibTeX
- Ting Wang, Jiaju Zhou:
3DFS: A New 3D Flexible Searching System for Use in Drug Design.
71-77
Electronic Edition (link) BibTeX
- Gilles Klopman:
The MultiCASE Program II. Baseline Activity Identification Algorithm (BAIA).
78-81
Electronic Edition (link) BibTeX
- Dana Lincoln Roth:
Merck Index-12th Edition on CD-ROM-for the Macintosh.
82-83
Electronic Edition (link) BibTeX
Volume 38,
Number 2 March 1998
- John L. Schultz, Edward S. Wilks:
Dendritic and Star Polymers: Classification, Nomenclature, Structure Representation, and Registration in the DuPont SCION Database.
85-99
Electronic Edition (link) BibTeX
- Michel Carabedian, Jacques-Emile Dubois:
Large Virtual Enhancement of a 13C NMR Database. A Structural Crowning Extrapolation Method Enabling Spectral Data Transfer.
100-107
Electronic Edition (link) BibTeX
- P. E. John, Roger B. Mallion, Ivan Gutman:
An Algorithm for Counting Spanning Trees in Labeled Molecular Graphs Homeomorphic to Cata-Condensed Systems.
108-112
Electronic Edition (link) BibTeX
- Rama K. Mishra, Swarna M. Patra:
Numerical Determination of the Kekulé Structure Count of Some Symmetrical Polycyclic Aromatic Hydrocarbons and Their Relationship with -Electronic Energy (A Computational Approach).
113-124
Electronic Edition (link) BibTeX
- István Lukovits:
An All-Path Version of the Wiener Index.
125-129
Electronic Edition (link) BibTeX
- Lionello Pogliani:
Pattern Recognition and Alternative Physical Chemistry Methodologies.
130-143
Electronic Edition (link) BibTeX
- S. D. Pickett, C. Luttmann, V. Guerin, A. Laoui, E. James:
DIVSEL and COMPLIB - Strategies for the Design and Comparison of Combinatorial Libraries using Pharmacophoric Descriptors.
144-150
Electronic Edition (link) BibTeX
- Ron Wehrens, Ernö Pretsch, Lutgarde M. C. Buydens:
Quality Criteria of Genetic Algorithms for Structure Optimization.
151-157
Electronic Edition (link) BibTeX
- Terry S. Carlton:
Correlation of Boiling Points with Molecular Structure for Chlorofluoroethanes.
158-164
Electronic Edition (link) BibTeX
- Valerie J. Gillet, Peter Willett, John Bradshaw:
Identification of Biological Activity Profiles Using Substructural Analysis and Genetic Algorithms.
165-179
Electronic Edition (link) BibTeX
- R. B. King:
Negative Curvature Surfaces in Chemical Structures.
180-188
Electronic Edition (link) BibTeX
- Leming M. Shi, Yi Fan, Timothy G. Myers, Patrick M. O'Connor, Kenneth D. Paull, Stephen H. Friend, John N. Weinstein:
Mining the NCI Anticancer Drug Discovery Databases: Genetic Function Approximation for the QSAR Study of Anticancer Ellipticine Analogues.
189-199
Electronic Edition (link) BibTeX
- Brooke E. Mitchell, Peter C. Jurs:
Prediction of Infinite Dilution Activity Coefficients of Organic Compounds in Aqueous Solution from Molecular Structure.
200-209
Electronic Edition (link) BibTeX
- Hiroko Satoh, Oliver Sacher, Tadashi Nakata, Lingran Chen, Johann Gasteiger, Kimito Funatsu:
Classification of Organic Reactions: Similarity of Reactions Based on Changes in the Electronic Features of Oxygen Atoms at the Reaction Sites1.
210-219
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- Sandra Handschuh, Markus Wagener, Johann Gasteiger:
Superposition of Three-Dimensional Chemical Structures Allowing for Conformational Flexibility by a Hybrid Method.
220-232
Electronic Edition (link) BibTeX
- DongXiang Liu, HuaLiang Jiang, KaiXian Chen, RuYun Ji:
A New Approach to Design Virtual Combinatorial Library with Genetic Algorithm Based on 3D Grid Property.
233-242
Electronic Edition (link) BibTeX
- Hongming Chen, Jiaju Zhou, Guirong Xie:
PARM: A Genetic Evolved Algorithm To Predict Bioactivity.
243-250
Electronic Edition (link) BibTeX
- Weifan Zheng, Sung Jin Cho, Alexander Tropsha:
Rational Combinatorial Library Design. 1. Focus-2D: A New Approach to the Design of Targeted Combinatorial Chemical Libraries.
251-258
Electronic Edition (link) BibTeX
- Sung Jin Cho, Weifan Zheng, Alexander Tropsha:
Rational Combinatorial Library Design. 2. Rational Design of Targeted Combinatorial Peptide Libraries Using Chemical Similarity Probe and the Inverse QSAR Approaches.
259-268
Electronic Edition (link) BibTeX
- Adolf Miklavc:
Solvation Free Energies of Small Amines: An Interpretation Thereof and Its General Significance.
269-270
Electronic Edition (link) BibTeX
- Lemont B. Kier, Chao-Kun Cheng, Michael Tute, Paul G. Seybold:
A Cellular Automata Model of Acid Dissociation.
271-275
Electronic Edition (link) BibTeX
- Toshiro Kimura, Kiyoshi Hasegawa, Kimito Funatsu:
GA Strategy for Variable Selection in QSAR Studies: GA-Based Region Selection for CoMFA Modeling.
276-282
Electronic Edition (link) BibTeX
- Paul D. T. Huibers, Alan R. Katritzky:
Correlation of the Aqueous Solubility of Hydrocarbons and Halogenated Hydrocarbons with Molecular Structure.
283-292
Electronic Edition (link) BibTeX
- Alan R. Katritzky, Lan Mu, Mati Karelson:
Relationships of Critical Temperatures to Calculated Molecular Properties.
293-299
Electronic Edition (link) BibTeX
- Alan R. Katritzky, Sulev Sild, Victor S. Lobanov, Mati Karelson:
Quantitative Structure-Property Relationship (QSPR) Correlation of Glass Transition Temperatures of High Molecular Weight Polymers.
300-304
Electronic Edition (link) BibTeX
- Charles H. Reynolds, Ross Druker, Lori B. Pfahler:
Lead Discovery Using Stochastic Cluster Analysis (SCA): A New Method for Clustering Structurally Similar Compounds.
305-312
Electronic Edition (link) BibTeX
- Gyula Tasi, Fujio Mizukami:
Analysis of Permanent Electric Dipole Moments of Aliphatic Hydrocarbon Molecules. 2. DFT Results.
313-316
Electronic Edition (link) BibTeX
- Nikhil Nair, Jonathan M. Goodman:
Genetic Algorithms in Conformational Analysis.
317-320
Electronic Edition (link) BibTeX
- Cikui Liang, David A. Gallagher:
QSPR Prediction of Vapor Pressure from Solely Theoretically-Derived Descriptors.
321-324
Electronic Edition (link) BibTeX
- Thierry Langer, Rémy D. Hoffmann:
On the Use of Chemical Function-Based Alignments as Input for 3D-QSAR.
325-330
Electronic Edition (link) BibTeX
Volume 38,
Number 3 May 1998
- Serge S. Tratch, Nikolai S. Zefirov:
Systematic Search for New Types of Chemical Interconversions: Mathematical Models and Some Applications.
331-348
Electronic Edition (link) BibTeX
- Serge S. Tratch, Nikolai S. Zefirov:
A Hierarchical Classification Scheme for Chemical Reactions.
349-366
Electronic Edition (link) BibTeX
- Krishnan Balasubramanian, Subhash C. Basak:
Characterization of Isospectral Graphs Using Graph Invariants and Derived Orthogonal Parameters.
367-373
Electronic Edition (link) BibTeX
- Milan Kunz, Zdenek Rádl:
Distributions of Distances in Information Strings.
374-378
Electronic Edition (link) BibTeX
- Darren R. Flower:
On the Properties of Bit String-Based Measures of Chemical Similarity.
379-386
Electronic Edition (link) BibTeX
- Shushen Liu, Chenzhong Cao, Zhiliang Li:
Approach to Estimation and Prediction for Normal Boiling Point (NBP) of Alkanes Based on a Novel Molecular Distance-Edge (MDE) Vector.
387-394
Electronic Edition (link) BibTeX
- Ovidiu Ivanciuc, Teodora Ivanciuc, Alexandru T. Balaban:
Design of Topological Indices. Part 10.1 Parameters Based on Electronegativity and Covalent Radius for the Computation of Molecular Graph Descriptors for Heteroatom-Containing Molecules.
395-401
Electronic Edition (link) BibTeX
- Krishna K. Agarwal:
An Algorithm for Computing the Automorphism Group of Organic Structures with Stereochemistry and a Measure of its Efficiency.
402-404
Electronic Edition (link) BibTeX
- Andrey A. Dobrynin:
New Congruence Relations for the Wiener Index of Cata-Condensed Benzenoid Graphs.
405-409
Electronic Edition (link) BibTeX
- Konstantin S. Lebedev, Daniel Cabrol-Bass:
New Computer Aided Methods for Revealing Structural Features of Unknown Compounds Using Low Resolution Mass Spectra.
410-419
Electronic Edition (link) BibTeX
- Kurt Varmuza, Plamen N. Penchev, Heinz Scsibrany:
Maximum Common Substructures of Organic Compounds Exhibiting Similar Infrared Spectra.
420-427
Electronic Edition (link) BibTeX
- Ernesto Estrada, Nicolais Guevara, Ivan Gutman:
Extension of Edge Connectivity Index. Relationships to Line Graph Indices and QSPR Applications.
428-431
Electronic Edition (link) BibTeX
- Jean-Loup Faulon:
Isomorphism, Automorphism Partitioning, and Canonical Labeling Can Be Solved in Polynomial-Time for Molecular Graphs.
432-444
Electronic Edition (link) BibTeX
- Ramón García-Domenech, Jesús Vicente de Julián-Ortiz:
Antimicrobial Activity Characterization in a Heterogeneous Group of Compounds.
445-449
Electronic Edition (link) BibTeX
- Jarmo Huuskonen, Marja Salo, Jyrki Taskinen:
Aqueous Solubility Prediction of Drugs Based on Molecular Topology and Neural Network Modeling.
450-456
Electronic Edition (link) BibTeX
- X. Z. Wang, B. H. Chen:
Clustering of Infrared Spectra of Lubricating Base Oils Using Adaptive Resonance Theory.
457-462
Electronic Edition (link) BibTeX
- Gunnar Brinkmann, Patrick W. Fowler:
Spiral Coding of Leapfrog Polyhedra.
463-468
Electronic Edition (link) BibTeX
- David Robert, Ramon Carbó-Dorca:
A Formal Comparison between Molecular Quantum Similarity Measures and Indices.
469-475
Electronic Edition (link) BibTeX
- Ferdinando Taddei:
The Rotational Barriers of Groups Containing Silicon in Substituted Benzenes. A Theoretical Approach to the Silicon Substituent Effect.
476-482
Electronic Edition (link) BibTeX
- Christopher J. Barden, Marc K. Boysworth, Frank A. Palocsay:
Neural Network Correction of PM3-Predicted Infrared Spectra.
483-488
Electronic Edition (link) BibTeX
- Brooke E. Mitchell, Peter C. Jurs:
Prediction of Aqueous Solubility of Organic Compounds from Molecular Structure.
489-496
Electronic Edition (link) BibTeX
- Paul R. Menard, Richard A. Lewis, Jonathan S. Mason:
Rational Screening Set Design and Compound Selection: Cascaded Clustering.
497-505
Electronic Edition (link) BibTeX
- Mark Froimowitz, Clifford George:
Conformational Analysis and a Crystal Structure of Bupropion, an Antidepressant with Dopamine Reuptake Blocking Activity.
506-510
Electronic Edition (link) BibTeX
- Xiao Qing Lewell, Duncan B. Judd, Stephen P. Watson, Michael M. Hann:
RECAP-Retrosynthetic Combinatorial Analysis Procedure: A Powerful New Technique for Identifying Privileged Molecular Fragments with Useful Applications in Combinatorial Chemistry.
511-522
Electronic Edition (link) BibTeX
- Thomas R. Cundari, L. C. Saunders:
Modeling Lanthanide Coordination Complexes. Comparison of Semiempirical and Classical Methods.
523-528
Electronic Edition (link) BibTeX
Volumber 38,
Number 4 July 1998
- Paul A. D. de Maine:
High-Speed Management of the National Compound Registry.
529-543
Electronic Edition (link) BibTeX
- Nick Kemp, Michael F. Lynch:
Extraction of Information from the Text of Chemical Patents. 1. Identification of Specific Chemical Names.
544-551
Electronic Edition (link) BibTeX
- G. Scarponi, C. Turetta, G. Capodaglio, G. Toscano, C. Barbante, I. Moret, P. Cescon:
Chemometric Studies in the Lagoon of Venice, Italy. 1. The Environmental Quality of Water and Sediment Matrices.
552-562
Electronic Edition (link) BibTeX
- Milan Randic, Sherif El-Basil, Sonja Nikolic, Nenad Trinajstic:
Clar Polynomials of Large Benzenoid Systems.
563-574
Electronic Edition (link) BibTeX
- Davor Juretic, Ana Lucin:
The Preference Functions Method for Predicting Protein Helical Turns with Membrane Propensity.
575-585
Electronic Edition (link) BibTeX
- Arthur F. Duprat, T. Huynh, Gérard Dreyfus:
Toward a Principled Methodology for Neural Network Design and Performance Evaluation in QSAR. Application to the Prediction of LogP.
586-594
Electronic Edition (link) BibTeX
- Daren Krebsbach, Herbert L. Gelernter, Scott McN. Sieburth:
Distributed Heuristic Synthesis Search.
595-604
Electronic Edition (link) BibTeX
- Jorge F. Magallanes, Cristina Vazquez:
Automatic Classification of Steels by Processing Energy-Dispersive X-ray Spectra with Artificial Neural Networks.
605-609
Electronic Edition (link) BibTeX
- Gilles Caporossi, Pierre Hansen:
Enumeration of Polyhex Hydrocarbons to h = 21.
610-619
Electronic Edition (link) BibTeX
- David Robert, Ramon Carbó-Dorca:
Analyzing the Triple Density Molecular Quantum Similarity Measures with the INDSCAL Model.
620-623
Electronic Edition (link) BibTeX
- Lluís Amat, David Robert, Emili Besalú, Ramon Carbó-Dorca:
Molecular Quantum Similarity Measures Tuned 3D QSAR: An Antitumoral Family Validation Study.
624-631
Electronic Edition (link) BibTeX
- Gyula Tasi, Fujio Mizukami:
Scaled Effective One-Electron Method Based on G2 Theory: Results for Aliphatic Alkane Molecules.
632-638
Electronic Edition (link) BibTeX
- Brian E. Turner, Chandra L. Costello, Peter C. Jurs:
Prediction of Critical Temperatures and Pressures of Industrially Important Organic Compounds from Molecular Structure.
639-645
Electronic Edition (link) BibTeX
- Danko Milosevic, Danica Batinic, Nenad Blau, Pasko Konjevoda, Nikola Stambuk, Ana Votava-Raic, Vesna Barbaric, Ksenija Fumic, Vlatko Rumenjak, Ana Stavljenic-Rukavina, Ljiljana Nizic, Kristina Vrljicak:
Determination of Urine Saturation with Computer Program Equil 2 As a Method for Estimation of the Risk of Urolithiasis.
646-650
Electronic Edition (link) BibTeX
- Vasyl V. Kovalishyn, Igor V. Tetko, Alexander I. Luik, Vladyslav V. Kholodovych, Alessandro E. P. Villa, David J. Livingstone:
Neural Network Studies. 3. Variable Selection in the Cascade-Correlation Learning Architecture.
651-659
Electronic Edition (link) BibTeX
- Igor V. Tetko, Alessandro E. P. Villa, Tatyana I. Aksenova, Walter L. Zielinski, James Brower, Elizabeth R. Collantes, William J. Welsh:
Application of a Pruning Algorithm To Optimize Artificial Neural Networks for Pharmaceutical Fingerprinting.
660-668
Electronic Edition (link) BibTeX
- Weida Tong, David R. Lowis, Roger Perkins, Yu Chen, William J. Welsh, Dean W. Goddette, Trevor W. Heritage, Daniel M. Sheehan:
Evaluation of Quantitative Structure-Activity Relationship Methods for Large-Scale Prediction of Chemicals Binding to the Estrogen Receptor.
669-677
Electronic Edition (link) BibTeX
- Manish Kumar Shukla, P. C. Mishra:
Excited-State Molecular Electric Properties of Some Biologically Important Purines, Pyrimidines, and Azines: An ab Initio Study.
678-684
Electronic Edition (link) BibTeX
- Wing Yiu Choy, Bryan C. Sanctuary:
Using Genetic Algorithms with a Priori Knowledge for Quantitative NMR Signal Analysis.
685-690
Electronic Edition (link) BibTeX
- Guido Sello:
Similarity Measures: Is It Possible To Compare Dissimilar Structures?
691-701
Electronic Edition (link) BibTeX
- Guillermo Moyna, Randy J. Zauhar, Howard J. Williams, Ronald J. Nachman, A. I. Scott:
Comparison of Ring Current Methods for Use in Molecular Modeling Refinement of NMR Derived Three-Dimensional Structures.
702-709
Electronic Edition (link) BibTeX
- Gerta Rücker, Christoph Rücker:
Symmetry-Aided Computation of the Detour Matrix and the Detour Index.
710-714
Electronic Edition (link) BibTeX
- István Lukovits, Wolfgang Linert:
Polarity-Numbers of Cycle-Containing Structures.
715-719
Electronic Edition (link) BibTeX
- Alan R. Katritzky, Yilin Wang, Sulev Sild, Tarmo Tamm, Mati Karelson:
QSPR Studies on Vapor Pressure, Aqueous Solubility, and the Prediction of Water-Air Partition Coefficients.
720-725
Electronic Edition (link) BibTeX
- Matthew D. Wessel, Peter C. Jurs, John W. Tolan, Steven M. Muskal:
Prediction of Human Intestinal Absorption of Drug Compounds from Molecular Structure.
726-735
Electronic Edition (link) BibTeX
- Michal Kutý, Jirí Damborský, Martin Prokop, Jaroslav Koca:
A Molecular Modeling Study of the Catalytic Mechanism of Haloalkane Dehalogenase. 2. Quantum Chemical Study of Complete Reaction Mechanism.
736-741
Electronic Edition (link) BibTeX
- Nathalie Evrard-Todeschi, Josyane Gharbi-Benarous, Valéry Larue, Jean-Pierre Girault:
Predictive Study by Molecular Modeling To Promote Specific Probes of Glutamate Receptors, Using Methylated Cyclic Glutamic Acid Derivatives (trans- and cis-ACPD). Comparison with Specific Agonists.
742-760
Electronic Edition (link) BibTeX
- Asim Kumar Debnath:
Comparative Molecular Field Analysis (CoMFA) of a Series of Symmetrical Bis-Benzamide Cyclic Urea Derivatives as HIV-1 Protease Inhibitors.
761-767
Electronic Edition (link) BibTeX
- Oscar N. Ventura:
AccuModel vl.1 for Windows 95.
768-770
Electronic Edition (link) BibTeX
- Robert E. Buntrock:
Specialty Chemicals Electronic Source Book, 1997 Edition on CD-ROM.
771-771
Electronic Edition (link) BibTeX
- Stephen R. Heller:
Symantec ACT! 4.0 for Windows.
772-772
Electronic Edition (link) BibTeX
- Stephen R. Heller:
Microsoft Office97.
773-773
Electronic Edition (link) BibTeX
- Matthew Clark:
Molecular Mechanics across Chemistry. By Anthony K. Rappé and Carla J. Casewit. University Science Books: Sausalito, California 1997, 444 pp. ISBN 0-935702-77-6.
774-774
Electronic Edition (link) BibTeX
Volume 38,
Number 5,
September 1998
- Harco de Hilster, Ad H. M. Thiers, Jan H. Noordik:
Computational Chemistry Network Services and User Interfacing. 2.
775-779
Electronic Edition (link) BibTeX
- Attilio Immirzi:
Using Symbolic Problems in Teaching Chemistry.
780-784
Electronic Edition (link) BibTeX
- Mariya I. Skvortsova, Igor I. Baskin, Ivan V. Stankevich, Vladimir A. Palyulin, Nikolai S. Zefirov:
Molecular Similarity. 1. Analytical Description of the Set of Graph Similarity Measures.
785-790
Electronic Edition (link) BibTeX
- James Douglas Pulfer, Clement Waine:
An Efficient Monte Carlo Approach to Optimization.
791-797
Electronic Edition (link) BibTeX
- Jean Brocas, Francis Buekenhout, Michel Dehon:
Enantiomeric Labeling of Reaction Graphs.
798-810
Electronic Edition (link) BibTeX
- Andrey A. Dobrynin:
Formula for Calculating the Wiener Index of Catacondensed Benzenoid Graphs.
811-814
Electronic Edition (link) BibTeX
- Dragan Amic, Dusanka Davidovic-Amic, Drago Beslo, Bono Lucic, Nenad Trinajstic:
QSAR of Flavylium Salts as Inhibitors of Xanthine Oxidase.
815-818
Electronic Edition (link) BibTeX
- Dragan Amic, Dusanka Davidovic-Amic, Drago Beslo, Bono Lucic, Nenad Trinajstic, Sonja Nikolic:
The Vertex-Connectivity Index Revisited.
819-822
Electronic Edition (link) BibTeX
- Mirko Lepovic, Ivan Gutman:
A Collective Property of Trees and Chemical Trees.
823-826
Electronic Edition (link) BibTeX
- O. Araujo, J. A. De la Peña:
Some Bounds for the Connectivity Index of a Chemical Graph.
827-831
Electronic Edition (link) BibTeX
- Jukka-Pekka Salo, Ari Yliniemelä, Jyrki Taskinen:
Parameter Refinement for Molecular Docking.
832-839
Electronic Edition (link) BibTeX
- Alan R. Katritzky, Sulev Sild, Mati Karelson:
General Quantitative Structure-Property Relationship Treatment of the Refractive Index of Organic Compounds.
840-844
Electronic Edition (link) BibTeX
- Eñaut Urrestarazu Ramos, Wouter H. J. Vaes, Henk J. M. Verhaar, L. M. Hermens:
Quantitative Structure-Activity Relationships for the Aquatic Toxicity of Polar and Nonpolar Narcotic Pollutants.
845-852
Electronic Edition (link) BibTeX
- Harry P. Schultz, Tor P. Schultz:
Topological Organic Chemistry. 11. Graph Theory and Reciprocal Schultz-Type Molecular Topological Indices of Alkanes and Cycloalkanes.
853-857
Electronic Edition (link) BibTeX
- Thomas R. Kowar:
Genetic Function Approximation Experimental Design (GFAXD): A New Method for Experimental Design.
858-866
Electronic Edition (link) BibTeX
- Yukio Tominaga:
Data Structure Comparison Using Box Counting Analysis.
867-875
Electronic Edition (link) BibTeX
- Shinsaku Fujita:
Pseudo-Point Groups and Subsymmetry-Itemized Enumeration for Characterizing the Symmetries of 1, 4-Dioxane and 1, 4-Oxathiane Derivatives.
876-884
Electronic Edition (link) BibTeX
- T. Hanai, Y. Inoue, T. Sakai, H. Kumagai:
Computational Chemical Analysis of the Highly Sensitive Detection of Bromate in Ion Chromatography.
885-888
Electronic Edition (link) BibTeX
- Dejan Plavsic, Milan Soskic, Nella Lers:
On the Calculation of the Molecular Descriptor '/.
889-892
Electronic Edition (link) BibTeX
- Marc C. Nicklaus, Robert W. Williams, Bruno Bienfait, Eric S. Billings, Milan Hodoscek:
Computational Chemistry on Commodity-Type Computers.
893-905
Electronic Edition (link) BibTeX
- David C. Whitley:
van der Waals Surface Graphs and the Shape of Small Rings.
906-914
Electronic Edition (link) BibTeX
- Robert P. Sheridan, Michael D. Miller:
A Method for Visualizing Recurrent Topological Substructures in Sets of Active Molecules.
915-924
Electronic Edition (link) BibTeX
- Magaly G. Albuquerque, Anton J. Hopfinger, E. J. Barreiro, Ricardo B. de Alencastro:
Four-Dimensional Quantitative Structure-Activity Relationship Analysis of a Series of Interphenylene 7-Oxabicycloheptane Oxazole Thromboxane A2 Receptor Antagonists.
925-938
Electronic Edition (link) BibTeX
- Norman J. Santora:
Asymptotics and Extrapolation By Guido Walz. Akademie Verlag: Berlin, Germany, 330 pp, 1996, ISBN 3-05-501732-3.
939
Electronic Edition (link) BibTeX
- Jiangang Chen, K. N. Houk:
Molecular Modeling: Principles and Applications By Andrew R. Leach. Addison Wesley Longman Limited: Essex, England, 1996, 595 pp. ISBN 0-582-23933-8.
939
Electronic Edition (link) BibTeX
- Robert E. Buntrock:
The Most Beautiful Molecule. The Discovery of the Buckyball. By Hugh Aldersey-Williams. John Wiley & Sons: NY 1995, 340 pp. ISBN 0-471-19333-X.
939-940
Electronic Edition (link) BibTeX
- Tina E. Chrzastowski:
How To Find Chemical Information: A Guide for Practicing Chemists, Educators, and Students 3rd ed.; By Robert E. Maizell. John Wiley & Sons, Inc.: New York, 1998, 515 pp, ISBN 0471125792.
940
Electronic Edition (link) BibTeX
Volume 38,
Number 6,
November 1998
- Thomas R. Cundari, Jun Deng, Wentao Fu, Thomas R. Klinckman, Akihiko Yoshikawa:
Molecular Modeling of Catalysts and Catalytic Reactions.
941-948
Electronic Edition (link) BibTeX
- Wladyslaw Val Metanomski:
Golden Anniversary of the ACS Division of Chemical Information (1948-1998).
949-950
Electronic Edition (link) BibTeX
- Edgar Meyer, Norma Field Funkhouser:
A Brief History of Networking in the U.S.
951-955
Electronic Edition (link) BibTeX
- Gary Wiggins:
Chemistry on the Internet: The Library on Your Computer.
956-965
Electronic Edition (link) BibTeX
- Wendy A. Warr:
Communication and Communities of Chemists.
966-975
Electronic Edition (link) BibTeX
- Henry S. Rzepa, Peter Murray-Rust, Benjamin J. Whitaker:
The Application of Chemical Multipurpose Internet Mail Extensions (Chemical MIME) Internet Standards to Electronic Mail and World Wide Web Information Exchange.
976-982
Electronic Edition (link) BibTeX
- Peter Willett, John M. Barnard, Geoffrey M. Downs:
Chemical Similarity Searching.
983-996
Electronic Edition (link) BibTeX
- Morton E. Munk:
Computer-Based Structure Determination: Then and Now.
997-1009
Electronic Edition (link) BibTeX
- Richard D. Cramer, David E. Patterson, Robert D. Clark, Farhad Soltanshahi, Michael S. Lawless:
Virtual Compound Libraries: A New Approach to Decision Making in Molecular Discovery Research.
1010-1023
Electronic Edition (link) BibTeX
- Arleen N. Somerville:
Chemical Information Instruction in Academe: Recent and Current Trends.
1024-1030
Electronic Edition (link) BibTeX
Chemical Information
Chemical Computation
- Rupika Delgoda, James Douglas Pulfer:
A Guided Monte Carlo Search Algorithm for Global Optimization of Multidimensional Functions.
1087-1095
Electronic Edition (link) BibTeX
- Michael Grzonka, Antony N. Davies:
Empirical Investigation on the Reproducibility of 13C NMR Shift Values.
1096-1101
Electronic Edition (link) BibTeX
- Sean A. C. McDowell:
Nonadditive Interactions in Trimers Containing H2, N2, and O2.
1102-1104
Electronic Edition (link) BibTeX
- James M. Salvador, Adrian Hernandez, Adriana Beltran, Richard Duran, Anthony Mactutis:
Fast Partial-Differential Synthesis of the Matching Polynomial of C72-100.
1105-1110
Electronic Edition (link) BibTeX
- Edward S. Blurock:
Use of Atomic and Bond Parameters in a Spectral Representation of a Molecule for Physical Property Determination.
1111-1118
Electronic Edition (link) BibTeX
- César Hervás, Sebastián Ventura, Manuel Silva, Dolores Pérez-Bendito:
Computational Neural Networks for Resolving Nonlinear Multicomponent Systems Based on Chemiluminescence Methods.
1119-1124
Electronic Edition (link) BibTeX
- David A. Demeter, Herschel J. R. Weintraub, James J. Knittel:
The Local Minima Method (LMM) of Pharmacophore Determination: A Protocol for Predicting the Bioactive Conformation of Small, Conformationally Flexible Molecules.
1125-1136
Electronic Edition (link) BibTeX
- A. E. Medvedev, A. V. Veselovsky, V. I. Shvedov, O. V. Tikhonova, T. A. Moskvitina, O. A. Fedotova, L. N. Axenova, N. S. Kamyshanskaya, A. Z. Kirkel, Alexis S. Ivanov:
Inhibition of Monoamine Oxidase by Pirlindole Analogues: 3D-QSAR and CoMFA Analysis.
1137-1144
Electronic Edition (link) BibTeX
- Robert M. Nemba, Alexandru T. Balaban:
Algorithm for the Direct Enumeration of Chiral and Achiral Skeletons of a Homosubstituted Derivative of a Monocyclic Cycloalkane with a Large and Factorizable Ring Size n.
1145-1150
Electronic Edition (link) BibTeX
- Artem Cherkasov, Mats Jonsson:
Substituent Effects on Thermochemical Properties of Free Radicals. New Substituent Scales for C-Centered Radicals.
1151-1156
Electronic Edition (link) BibTeX
- Yukio Tominaga:
Novel 3D Descriptors Using Excluded Volume 2: Application to Drug Classification.
1157-1160
Electronic Edition (link) BibTeX
- Chunsheng Cai, Peter de B. Harrington:
Different Discrete Wavelet Transforms Applied to Denoising Analytical Data.
1161-1170
Electronic Edition (link) BibTeX
- Alan R. Katritzky, Sulev Sild, Mati Karelson:
Correlation and Prediction of the Refractive Indices of Polymers by QSPR.
1171-1176
Electronic Edition (link) BibTeX
- Anantha Sundaram, Venkat Venkatasubramanian:
Parametric Sensitivity and Search-Space Characterization Studies of Genetic Algorithms for Computer-Aided Polymer Design.
1177-1191
Electronic Edition (link) BibTeX
- Steven L. Dixon, Hugo O. Villar:
Bioactive Diversity and Screening Library Selection via Affinity Fingerprinting.
1192-1203
Electronic Edition (link) BibTeX
- Paul R. Menard, Jonathan S. Mason, Isabelle Morize, Susanne Bauerschmidt:
Chemistry Space Metrics in Diversity Analysis, Library Design, and Compound Selection.
1204-1213
Electronic Edition (link) BibTeX
- Bernd Beck, Anselm H. C. Horn, John E. Carpenter, Timothy Clark:
Enhanced 3D-Databases: A Fully Electrostatic Database of AM1-Optimized Structures.
1214-1217
Electronic Edition (link) BibTeX
Molecular Modeling
Computer Software Reviews
- Stephen R. Heller:
Corel GALLERY 1, 000, 000, Version 3.0.
1249-1249
Electronic Edition (link) BibTeX
- Gary O. Spessard:
ACD Labs/LogP dB 3.5 and ChemSketch 3.5.
1250-1253
Electronic Edition (link) BibTeX
- Bruce Slutsky:
Chemometrics: A Practical Guide By Kenneth R. Beebe, Randy J. Pell, and Mary Beth Seasholtz. Wiley-Interscience Series on Laboratory Automation. John Wiley & Sons: New York, 1998, xi + 348 pp, ISBN 0-471-12451-6.
1254-1254
Electronic Edition (link) BibTeX
- Bruce Slutsky:
Handbook of Chemometrics and Qualimetrics: Part A By D. L. Massart, B. G. M. Vandeginste, L. M. C. Buydens, S. De Jong, P. J. Lewi, and J. Smeyers-Verbeke. Data Handling in Science and Technology Volume 20A. Elsevier: Amsterdam, 1997, Xvii + 867 pp. ISBN 0-444-89724-0.
1254-1254
Electronic Edition (link) BibTeX
- Jayashri Nagaraja:
Protecting Inventions in Chemistry: Commentary on Chemical Case Law under the European Patent Convention and the German Patent Law By Dr. Bernd Hansen and Dr. Fritjoff Hirsch. Wiley-VCH: New York, 1997, 511 pp, 3-527-28808-2.
1254-1254
Electronic Edition (link) BibTeX
- Robert E. Buntrock:
The ACS Style Guide. A Manual for Authors and Editors, 2nd ed Edited by Janet S. Dodd. American Chemical Society: Washington, DC, 1997, 460 pp, ISBN 0-8412-3462-0.
1254-1255
Electronic Edition (link) BibTeX
- D. Eric Walters:
Visual Explanations. Images and Quantities, Evidence and Narrative By Edward R. Tufte. Graphics Press: Cheshire, Connecticut, 1997, 156 pp, ISBN 0-9613921-2-6.
1255
Electronic Edition (link) BibTeX
- Edward C. Kirby, P. Pollak:
How To Enumerate the Connectional Isomers of a Toroidal Polyhex Fullerene.
1256
Electronic Edition (link) BibTeX
Copyright © Sun May 17 00:07:33 2009
by Michael Ley (ley@uni-trier.de)
