Journal of Chemical Information and Computer Sciences, Volume 34

Volume 34, Number 1, January 1994

• Ivar Ugi, Johannes Bauer, Carola Blomberger, Josef Brandt, Andreas Dietz, Eric Fontain, Bernhard Gruber, Annette v. Scholley-Pfab, Antje Senff, Natalie Stein:
  Models, concepts, theories, and formal languages in chemistry and their use as a basis for computer assistance in chemistry. 3-16
  Electronic Edition (link) BibTeX
• George D. Purvis:
  The chemical sample: A fundamental object for molecular modeling. 17-21
  Electronic Edition (link) BibTeX
• Sandor Barcza:
  Far beyond the structure diagram. Increasing the dimensionality of chemical information retrieval: structure .fwdarw. transport .fwdarw. transformation .fwdarw. energetics .fwdarw. logic and control [networks]. 22-31
  Electronic Edition (link) BibTeX
• Martin G. Hicks:
  CD-ROM chemical databases: The influence of data structure and graphical user interfaces on information access. 32-38
  Electronic Edition (link) BibTeX
• John D. Holliday, Geoffrey M. Downs, Valerie J. Gillet, Michael F. Lynch, Winfried Dethlefsen:
  Evaluation of the screening stages of the Sheffield Research Project on Computer Storage and Retrieval of Generic Chemical Structures in Patents. 39-46
  Electronic Edition (link) BibTeX
• Robert D. Brown, Geoffrey M. Downs, Gareth Jones, Peter Willett:
  Hyperstructure model for chemical structure handling: Techniques for substructure searching. 47-53
  Electronic Edition (link) BibTeX
• Peter J. Artymiuk, Helen M. Grindley, Andrew R. Poirrette, David W. Rice, Elizabeth C. Ujah, Peter Willett:
  Identification of .beta.-sheet motifs, of .psi.-loops, and of patterns of amino acid residues in three-dimensional protein structures using a subgraph-isomorphism algorithm. 54-62
  Electronic Edition (link) BibTeX
• Robert D. Brown, Gareth Jones, Peter Willett, Robert C. Glen:
  Matching two-dimensional chemical graphs using genetic algorithms. 63-70
  Electronic Edition (link) BibTeX
• Clemens Jochum:
  The Beilstein Information System is not a reaction database, or is it? 71-73
  Electronic Edition (link) BibTeX
• J. Royce Rose, Johann Gasteiger:
  HORACE: An automatic system for the hierarchical classification of chemical reactions. 74-90
  Electronic Edition (link) BibTeX
• Rainer Herges:
  Coarctate transition states: the discovery of a reaction principle. 91-102
  Electronic Edition (link) BibTeX
• N. D. Wright, D. C. Povey, Brendan J. Howlin:
  Development of a new data format to allow the study of structural diversity and ligand behavior in transition metal coordination complexes retrieved from the Cambridge Structural Database. 103-108
  Electronic Edition (link) BibTeX
• Wolf-Dietrich Ihlenfeldt, Yoshimasa Takahashi, Hidetsugu Abe, Shin-ichi Sasaki:
  Computation and management of chemical properties in CACTVS: An extensible networked approach toward modularity and compatibility. 109-116
  Electronic Edition (link) BibTeX
• Rainer Moll:
  Context description in synthesis planning. 117-119
  Electronic Edition (link) BibTeX
• Guido Sello:
  Lilith: From childhood to adolescence. 120-129
  Electronic Edition (link) BibTeX
• William Fisanick, Alan H. Lipkus, Andrew Rusinko III:
  Similarity searching on CAS Registry substances. 2. 2D structural similarity. 130-140
  Electronic Edition (link) BibTeX
• Peter A. Bath, Andrew R. Poirrette, Peter Willett, Frank H. Allen:
  Similarity searching in files of three-dimensional chemical structures: Comparison of fragment-based measures of shape similarity. 141-147
  Electronic Edition (link) BibTeX
• Philip N. Judson:
  Rule induction for systems predicting biological activity. 148-153
  Electronic Edition (link) BibTeX
• M. P. Payne, P. T. Walsh:
  Structure-activity relationships for skin sensitization potential: Development of structural alerts for use in knowledge-based toxicity prediction systems. 154-161
  Electronic Edition (link) BibTeX
• Howard Lentzner, Amal Moulik:
  A systematic method for using structural and numeric databases to choose compounds of potentially high nonlinear optical susceptibility. 162-166
  Electronic Edition (link) BibTeX
• Yoshimasa Takahashi:
  Automatic extraction of ring substructures from a chemical structure. 167-170
  Electronic Edition (link) BibTeX
• Thierry Laidboeur, Isabelle Laude, Daniel Cabrol-Bass, Ivan P. Bangov:
  Employment of fuzzy information derived from spectroscopic data toward reducing the redundancy in the process of structure generation. 171-178
  Electronic Edition (link) BibTeX
• Romuald I. Zalewski, Jan Jasiczak:
  Structure-property relationship in sweeteners. 179-183
  Electronic Edition (link) BibTeX
• Thomas E. Moock, Douglas R. Henry, Ali G. Ozkabak, Mita Alamgir:
  Conformational searching in ISIS/3D databases. 184-189
  Electronic Edition (link) BibTeX
• Tad Hurst:
  Flexible 3D searching: The directed tweak technique. 190-196
  Electronic Edition (link) BibTeX
• David E. Clark, Gareth Jones, Peter Willett, Peter W. Kenny, Robert C. Glen:
  Pharmacophoric pattern matching in files of three-dimensional chemical structures: Comparison of conformational-searching algorithms for flexible searching. 197-206
  Electronic Edition (link) BibTeX
• Valerie J. Gillet, William Newell, Paulina Mata, Glenn J. Myatt, Sandor Sike, Zsolt Zsoldos, A. Peter Johnson:
  SPROUT: Recent developments in the de novo design of molecules. 207-217
  Electronic Edition (link) BibTeX
• Mark G. Bures, Elizabeth A. Danaher, Jerry DeLazzer, Yvonne C. Martin:
  New molecular modeling tools using three-dimensional chemical substructures. 218-223
  Electronic Edition (link) BibTeX
• David J. Wild, Peter Willett:
  Similarity searching in files of three-dimensional chemical structures. Implementation of atom mapping on the distributed array processor DAP-610, the MasPar MP-1104, and the connection machine CM-200. 224-231
  Electronic Edition (link) BibTeX

Volume 34, Number 2, March 1994

• Julian M. Ivanov, Stoyan Karabunarliev, Ovanes G. Mekenyan:
  3DGEN: A system for exhaustive 3D molecular design proceeding from molecular topology. 234-243
  Electronic Edition (link) BibTeX
• Paul G. Mezey:
  Iterated similarity sequences and shape ID numbers for molecules. 244-247
  Electronic Edition (link) BibTeX
• Jerry Ray Dias:
  Algorithm for generating fullerenes by circumscribing. 248-251
  Electronic Edition (link) BibTeX
• Robert W. Zoellner, John F. Krebs, David M. Browne:
  Violently Twisted and Strained Organic Molecules: A Descriptor System for Simple Coronoid Aromatics with a Moebius Half-Twist and Semiempirical Calculations on the Moebius Analogs of Coronene. 252-258
  Electronic Edition (link) BibTeX
• M. Lawrence Ellzey Jr.:
  Irreducible tensor bases for the Frobenius algebra of a finite unitary group. 259-263
  Electronic Edition (link) BibTeX
• Patrick W. Fowler, Sarah J. Austin:
  Closed-shell carbon frameworks: Leapfrog fullerenes and decorated spheriphane hydrocarbons. 264-269
  Electronic Edition (link) BibTeX
• Subhash C. Basak, Sharon Bertelsen, Gregory D. Grunwald:
  Application of graph theoretical parameters in quantifying molecular similarity and structure-activity relationships. 270-276
  Electronic Edition (link) BibTeX
• Milan Randic, Alexander F. Kleiner, Luz M. DeAlba:
  Distance/Distance Matrixes. 277-286
  Electronic Edition (link) BibTeX
• István Lukovits:
  Toward Reconstruction of Trees by Using Graph Invariants. 287-289
  Electronic Edition (link) BibTeX
• Marko Razinger, Marko Perdih:
  Computerized Stereochemistry: Coding and Naming Configurational Stereoisomers. 290-296
  Electronic Edition (link) BibTeX
• Pierre Hansen, Maolin Zheng:
  Bonds Fixed by Fixing Bonds. 297-304
  Electronic Edition (link) BibTeX
• Pierre Hansen, Maolin Zheng:
  Numerical Bounds for the Perfect Matching Vectors of a Polyhex. 305-308
  Electronic Edition (link) BibTeX
• Edgar Eduardo Daza C., José-Luis Villaveces:
  Upper and lower bounds for molecular energies. 309-313
  Electronic Edition (link) BibTeX
• Ray Hefferlin:
  Matrix-Product Periodic Systems of Molecules. 314-317
  Electronic Edition (link) BibTeX
• Ivan P. Bangov:
  Structure Generation from a Gross Formula. 7. Graph Isomorphism: A Consequence of the Vertex Equivalence. 318-324
  Electronic Edition (link) BibTeX
• Seymour B. Elk:
  Orismology (The Science of Defining Words) and the Geometrical Foundations of Chemistry. 2. Inherent Topology. 325-330
  Electronic Edition (link) BibTeX
• Seymour B. Elk, Ivan Gutman:
  Further Properties Derivable from the Matula Number of an Alkane. 331-334
  Electronic Edition (link) BibTeX
• I. F. Shadrin, M. R. Sharafutdinov, A. M. Elyashevich:
  Computer Simulation of a Hard-Rod System: Structural Transitions and Clusters. 335-338
  Electronic Edition (link) BibTeX
• Xiaofeng Guo, Milan Randic:
  Recursive Method for Enumeration of Linearly Independent and Minimal Conjugated Circuits of Benzenoid Hydrocarbons. 339-348
  Electronic Edition (link) BibTeX
• Jun Xu, Philip N. Borer:
  Rigorous Deduction Theory for Assignment of Multidimensional NMR Spectra Using the Independent Spin Coupling Network Approach. 349-356
  Electronic Edition (link) BibTeX
• Peter E. John:
  Calculating the Cell Polynomial of Catacondensed Polycyclic Hydrocarbons. 357-360
  Electronic Edition (link) BibTeX
• Milan Randic, Xiaofeng Guo, T. Oxley, H. K. Krishnapriyan, L. Naylor:
  Wiener Matrix Invariants. 361-367
  Electronic Edition (link) BibTeX
• Nenad Trinajstic, Darko Babic, Sonja Nikolic, Dejan Plavsic, Dragan Amic, Zlatko Mihalic:
  The Laplacian matrix in chemistry. 368-376
  Electronic Edition (link) BibTeX
• Yuansheng Jiang, Hongyao Zhu:
  Evaluation of Level Pattern Indices. 377-380
  Electronic Edition (link) BibTeX
• Jerome Karle:
  Applications of Mathematics to Structural Chemistry. 381-390
  Electronic Edition (link) BibTeX
• Damijana Kerzic, Borka Jerman-Blazic, Vladimir Batagelj:
  Comparison of three different approaches to the property prediction problem. 391-394
  Electronic Edition (link) BibTeX
• Tomaz Pisanski, Janez Zerovnik:
  Weights on Edges of Chemical Graphs Determined by Paths. 395-397
  Electronic Edition (link) BibTeX
• Alexandru T. Balaban:
  Local versus Global (i.e. Atomic versus Molecular) Numerical Modeling of Molecular Graphs. 398-402
  Electronic Edition (link) BibTeX
• Milan Randic, Zlatko Mihalic, Sonja Nikolic, Nenad Trinajstic:
  Graphical bond orders: Novel structural descriptors. 403-409
  Electronic Edition (link) BibTeX
• R. B. King:
  The role of toroidal and cylindrical chemical bonding manifolds in coinage metal and mercury clusters. 410-417
  Electronic Edition (link) BibTeX
• Binglan Liu, Deshan Kang:
  Ab Initio Study of Stability and Strain of Cyclopropane and Its Derivatives. 418-420
  Electronic Edition (link) BibTeX
• Krishnan Balasubramanian:
  Exhaustive Generation and Analytical Expressions of Matching Polynomials of Fullerenes C20-C50. 421-427
  Electronic Edition (link) BibTeX
• Haruo Hosoya, Umpei Nagashima, Sachiko Hyugaji:
  Topological Twin Graphs. Smallest Pair of Isospectral Polyhedral Graphs with Eight Vertices. 428-431
  Electronic Edition (link) BibTeX
• Horst Sachs:
  Graph Theoretical Means for Calculating Kekule and Hueckel Parameters in Benzenoid and Related Systems. 432-435
  Electronic Edition (link) BibTeX
• Ekaterina Gordeeva, Danail Bonchev, Dimitar I. Kamenski, Oleg N. Temkin:
  Enumeration, Coding, and Complexity of Linear Reaction Mechanisms. 436-445
  Electronic Edition (link) BibTeX
• Dennis H. Rouvray:
  Similarity studies. 1. The necessity of analogies in the development of science. 446-452
  Electronic Edition (link) BibTeX
• Douglas J. Klein:
  Elemental Benzenoids. 453-459
  Electronic Edition (link) BibTeX

Volume 34, Number 3, May 1994

• Krishna K. Agarwal, Herbert L. Gelernter:
  A Computer-Oriented Linear Canonical Notational System for the Representation of Organic Structures with Stereochemistry. 463-479
  Electronic Edition (link) BibTeX
• Vince Hamner, Ching-Wan Yip, Raymond E. Dessy:
  E-mail as a Tool for Sharing Binary Files among Scientists. 480-484
  Electronic Edition (link) BibTeX
• James L. Davis, Efrat Livny:
  Retrieval of Japanese scientific and technical information from the JICST online information system. 485-490
  Electronic Edition (link) BibTeX
• Paulina Mata, Ana M. Lobo, Chris Marshall, A. Peter Johnson:
  Implementation of the Cahn-Ingold-Prelog System for Stereochemical Perception in the LHASA Program. 491-504
  Electronic Edition (link) BibTeX
• Sydney R. Hall, Nick Spadaccini:
  The STAR File: detailed specifications. 505-508
  Electronic Edition (link) BibTeX
• Nick Spadaccini, Sydney R. Hall:
  Star-Base: Accessing STAR File Data. 509-516
  Electronic Edition (link) BibTeX
• Peter Kuhn, René Deplanque, Ekkehard Fluck:
  Criteria of Quality Assessment for Scientific Databases. 517-519
  Electronic Edition (link) BibTeX
• Jorge Gálvez, Ramón García-Domenech, M. Teresa Salabert-Salvador, Rosa Soler:
  Charge Indexes. New Topological Descriptors. 520-525
  Electronic Edition (link) BibTeX
• Irene Luque Ruiz, Jrene L. Cruz Soto, Miguel Ángel Gómez-Nieto:
  Computer translation of inorganic chemical nomenclature to a dynamic abstract data structure. 526-533
  Electronic Edition (link) BibTeX
• Christoph Rücker, Gerta Rücker:
  Mathematical Relation between Extended Connectivity and Eigenvector Coefficients. 534-538
  Electronic Edition (link) BibTeX
• G. Celebre, G. De Luca, M. Longeri, Emilia Sicilia:
  Graphical Interactive Strategy for the Analysis of NMR Spectra in Liquid Crystalline Phases. 539-545
  Electronic Edition (link) BibTeX
• Ivan P. Bangov, Svetlana Simova, Daniel Cabrol-Bass, Isabelle Laude:
  Computer-assisted structure generation from a gross formula. 6. Reducing the structural redundancy by the employment of 2D NMR spectral information. 546-557
  Electronic Edition (link) BibTeX
• T. Zhou, Thomas L. Isenhour, John C. Marshall:
  Object-Oriented Programming Applied to Laboratory Automation. 3.The Standard Robot Interface Protocol for the Analytical Director. 558-569
  Electronic Edition (link) BibTeX
• Manuel Pastor, Julio Alvarez-Builla:
  New Developments of EDISFAR Programs. Experimental Design in QSAR Practice. 570-575
  Electronic Edition (link) BibTeX
• Zvi Boger, Zeev Karpas:
  Use of Neural Networks for Quantitative Measurements in Ion Mobility Spectrometry (IMS). 576-580
  Electronic Edition (link) BibTeX
• S. E. Stein, R. L. Brown:
  Estimation of normal boiling points from group contributions. 581-587
  Electronic Edition (link) BibTeX
• Michael A. Siani, David Weininger, Jeffrey M. Blaney:
  CHUCKLES: A method for representing and searching peptide and peptoid sequences on both monomer and atomic levels. 588-593
  Electronic Edition (link) BibTeX
• Kenji Okada:
  Application of Direct Phasing Methods for Crystal Structure Analysis Using PCs. 2. Automation of the Symbolic-Addition Method. 594-600
  Electronic Edition (link) BibTeX
• Todd M. Nelson, Peter C. Jurs:
  Prediction of Aqueous Solubility of Organic Compounds. 601-609
  Electronic Edition (link) BibTeX
• M. Leonor Contreras, Roberto Rozas, R. Valdivia:
  Exhaustive Generation of Organic Isomers. 3. Acyclic, Cyclic, and Mixed Compounds. 610-616
  Electronic Edition (link) BibTeX
• Michael E. Sigman, Stephen S. Rives:
  Prediction of Atomic Ionization Potentials I-III Using an Artificial Neural Network. 617-620
  Electronic Edition (link) BibTeX
• Krishnan Balasubramanian:
  Computational Techniques for the Automorphism Groups of Graphs. 621-626
  Electronic Edition (link) BibTeX
• Stephen R. Heller, Douglas W. Bigwood, Willie E. May:
  Expert Systems for Evaluating Physicochemical Property Values. 1. Aqueous Solubility. 627-636
  Electronic Edition (link) BibTeX
• Seymour B. Elk:
  A Simplified Algorithm Using Base 5 Numbers To Assign Canonical Names to Cata-Condensed Polybenzenes. 637-640
  Electronic Edition (link) BibTeX
• Dusanka Janezic, Roman Trobec:
  Parallelization of an Implicit Runge-Kutta Method for Molecular Dynamics Integration. 641-646
  Electronic Edition (link) BibTeX
• Lemont B. Kier, Chao-Kun Cheng:
  A Cellular Automata Model of Water. 647-652
  Electronic Edition (link) BibTeX
• Todd M. Miller, Jan-Willem Boiten, Martin A. Ott, Jan H. Noordik:
  Organic reaction database translation from REACCS to ORAC. 653-660
  Electronic Edition (link) BibTeX
• Andrew R. Leach:
  An Algorithm To Directly Identify a Molecule's "Most Different" Conformations. 661-670
  Electronic Edition (link) BibTeX
• Charles H. Reynolds:
  Combined Molecular Orbital and Group Additivity Approach for Modeling Thermochemical Properties: Application to Hydrazides. 671-675
  Electronic Edition (link) BibTeX

Volume 34, Number 4, July 1994

• Michel Carabedian, Jacques-Emile Dubois:
  Inferring Extended Virtual Knowledge from an EPIOS Conversion Graph of Overlapping Substructures. 701-706
  Electronic Edition (link) BibTeX
• Peter Langer, Arthur J. C. Wilson:
  Online User Needs in Chemical Information. 707-713
  Electronic Edition (link) BibTeX
• Andreas Barth, Ulla Westermann, Beate Pasucha:
  Messenger and S4: A Comparison of Structure Search Systems. 714-722
  Electronic Edition (link) BibTeX
• Jean-Marc Nuzillard:
  Quick Method for Anti-Bredt Structure Detection. 723-724
  Electronic Edition (link) BibTeX
• St. Thomas, D. Stroehl, Erich Kleinpeter:
  Computer Application of an Incremental System for Calculating 13C NMR Spectra of Aromatic Compounds. 725-729
  Electronic Edition (link) BibTeX
• Huixiao Hong, Xin Xinquan:
  ESSESA: An Expert System for Structure Elucidation from Spectra. 4. Canonical Representation of Structures. 730-734
  Electronic Edition (link) BibTeX
• Kimito Funatsu, Binod P. Acharya, Shin-ichi Sasaki:
  Application of a digital 1H-NMR spectrum to the survival test of substructures and the assignment test. 735-744
  Electronic Edition (link) BibTeX
• Kimito Funatsu, Minoru Nishizaki, Shin-ichi Sasaki:
  Introduction of NOE data to an automated structure elucidation system, CHEMICS. Three-dimensional structure elucidation using the distance geometry method. 745-751
  Electronic Edition (link) BibTeX
• Gilles Klopman, Ju-Yun Li, Shaomeng Wang, Mario Dimayuga:
  Computer Automated log P Calculations Based on an Extended Group Contribution Approach. 752-781
  Electronic Edition (link) BibTeX
• Pierre Hansen, Brigitte Jaumard, Catherine Lebatteux, Maolin Zheng:
  Coding Chemical Trees with the Centered N-tuple Code. 782-790
  Electronic Edition (link) BibTeX
• R. Gautzsch, Peter Zinn:
  List Operations on Chemical Graphs. 5. Implementation of Breadth-First Molecular Path Generation and Application in the Estimation of Retention Index Data and Boiling Points. 791-800
  Electronic Edition (link) BibTeX
• Lionello Pogliani:
  On a Graph Theoretical Characterization of Cis/Trans Isomers. 801-804
  Electronic Edition (link) BibTeX
• Chen Peng, Shengang Yuan, Chongzhi Zheng, Yongzheng Hui:
  Efficient Application of 2D NMR Correlation Information in Computer-Assisted Structure Elucidation of Complex Natural Products. 805-813
  Electronic Edition (link) BibTeX
• Chen Peng, Shengang Yuan, Chongzhi Zheng, Yongzheng Hui, Houming Wu, Kan Ma, Xiuwen Han:
  Application of Expert System CISOC-SES to the Structure Elucidation of Complex Natural Products. 814-819
  Electronic Edition (link) BibTeX
• Torsten Alvager, George Graham, David Hutchison, James Westgard:
  Standard Genetic Code Degeneracies from Maximum Information Calculations. 820-821
  Electronic Edition (link) BibTeX
• Renzo Balducci, Robert S. Pearlman:
  Efficient exact solution of the ring perception problem. 822-831
  Electronic Edition (link) BibTeX
• Andrei A. Gakh, Elena G. Gakh, Bobby G. Sumpter, Donald W. Noid:
  Neural Network-Graph Theory Approach to the Prediction of the Physical Properties of Organic Compounds. 832-839
  Electronic Edition (link) BibTeX
• Chang-Yu Hu, Lu Xu:
  A new scheme for assignment of a canonical connection table. 840-844
  Electronic Edition (link) BibTeX
• Takashi Nakayama:
  Semantic dictionary for substructure matching of chemical structures with general descriptors. 845-853
  Electronic Edition (link) BibTeX
• David Rogers, Anton J. Hopfinger:
  Application of Genetic Function Approximation to Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships. 854-866
  Electronic Edition (link) BibTeX
• Seema Mendiratta, A. K. Madan:
  Structure-Activity Study on Antiviral 5-Vinylpyrimidine Nucleoside Analogs Using Wiener's Topological Index. 867-871
  Electronic Edition (link) BibTeX
• Wolf-Dietrich Ihlenfeldt:
  An efficient approach toward a flexible and general knowledge definition and program control language system for a synthesis-planning program. 872-880
  Electronic Edition (link) BibTeX
• Paul R. Sebastian, David E. Booth, Michael Y. Hu:
  Using Polynomial Smoothing and Data Bounding for the Detection of Adverse Process Changes in a Chemical Process. 881-889
  Electronic Edition (link) BibTeX
• Bruno Bienfait:
  Applications of High-Resolution Self-Organizing Maps to Retrosynthetic and QSAR Analysis. 890-898
  Electronic Edition (link) BibTeX
• István Lukovits, Wolfgang Linert:
  A Novel Definition of the Hyper-Wiener Index for Cycles. 899-902
  Electronic Edition (link) BibTeX
• Jon Brunvoll, Bjørg N. Cyvin, Sven J. Cyvin:
  Mono-Q-Polyhexes with Q Larger than 6: Polygonal Systems Representing a Class of Polycyclic Conjugated Hydrocarbons. 903-911
  Electronic Edition (link) BibTeX
• Ivan Gutman:
  Frequency of even and odd numbers in distance matrixes of bipartite graphs. 912-914
  Electronic Edition (link) BibTeX
• Alan K. Long, John C. Kappos:
  Computer-assisted synthetic analysis. Performance of tactical combinations of transforms. 915-921
  Electronic Edition (link) BibTeX
• Alan K. Long, John C. Kappos, Stewart D. Rubenstein, Gary E. Walker:
  Computer-assisted synthetic analysis. A generalized procedure for subgoal transform selection based on a two-dimensional pattern language. 922-933
  Electronic Edition (link) BibTeX
• Lingran Chen, Wolfgang Robien:
  Application of the Maximal Common Substructure Algorithm to Automatic Interpretation of 13C-NMR Spectra. 934-941
  Electronic Edition (link) BibTeX
• Seymour B. Elk:
  Prime Number Assignment to a Hexagonal Tessellation of a Plane That Generates Canonical Names for Peri-Condensed Polybenzenes. 942-946
  Electronic Edition (link) BibTeX
• Leanne M. Egolf, Matthew D. Wessel, Peter C. Jurs:
  Prediction of boiling points and critical temperatures of industrially important organic compounds from molecular structure. 947-956
  Electronic Edition (link) BibTeX
• Milan Kunz:
  Distance Matrixes Yielding Angles between Arcs of the Graphs. 957-959
  Electronic Edition (link) BibTeX
• Wolfgang R. Mueller, Klaus Szymanski, Jan V. Knop, Nenad Trinajstic:
  Bit-tuple Notation for Trees. 960-961
  Electronic Edition (link) BibTeX
• Harold E. Helson, William L. Jorgensen:
  Computer-Assisted Mechanistic Evaluation of Organic Reactions. 25. Structure Diagram Positioning. 962-971
  Electronic Edition (link) BibTeX
• Sachiko Okada, Kenji Okada:
  Application of automated structure analysis to some organic compounds using PCs. 3. Crystallographic programs. 972-975
  Electronic Edition (link) BibTeX
• Raúl E. Valdés-Pérez:
  Heuristics for systematic elucidation of reaction pathways. 976-983
  Electronic Edition (link) BibTeX
• Christoph Klawun, Charles L. Wilkins:
  A novel algorithm for local minimum escape in back-propagation neural networks: application to the interpretation of matrix isolation infrared spectra. 984-993
  Electronic Edition (link) BibTeX
• Nikolai S. Zefirov, Igor I. Baskin, Vladimir A. Palyulin:
  SYMBEQ Program and Its Application in Computer-Assisted Reaction Design. 994-999
  Electronic Edition (link) BibTeX
• Jens Sadowski, Johann Gasteiger, Gerhard Klebe:
  Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures. 1000-1008
  Electronic Edition (link) BibTeX
• Richard B. Davidson, S. Scott Zimmerman:
  Evaluation of Two Procedures for Selecting Starting Conformations for Energy Minimization of Peptides. 1009-1013
  Electronic Edition (link) BibTeX
• B. Jin, Anton J. Hopfinger:
  A Proposed Common Spatial Pharmacophore and the Corresponding Active Conformations of Some TxA2 Receptor Antagonists. 1014-1021
  Electronic Edition (link) BibTeX
• Scott E. Van Bramer:
  Review of Lotus 123 Release 4 for Windows. 1022-1023
  Electronic Edition (link) BibTeX
• Mary L. Swift:
  GraphPad InPlot. 1024
  Electronic Edition (link) BibTeX
• Michelle Miller Francl:
  AMPAC 4.5. 1025
  Electronic Edition (link) BibTeX
• Stephen R. Heller:
  SpecTool. 1026
  Electronic Edition (link) BibTeX
• Russell Beale, Tom Jackson, Aly A. Farag:
  Book Reviews: Neutral Computing: An Introduction. 1027
  Electronic Edition (link) BibTeX
• Yoshimasa Takahashi:
  Automatic extraction of ring substructures from a chemical structure. [Erratum to document cited in CA120: 76588]. 1028
  Electronic Edition (link) BibTeX
• Peter E. John:
  Calculating the cell polynomial of catacondensed polycyclic hydrocarbons. [Erratum to document cited in CA120: 190658]. 1028
  Electronic Edition (link) BibTeX
• Philip N. Judson:
  Rule induction for systems predicting biological activity. [Erratum to document cited in CA120: 76590]. 1028
  Electronic Edition (link) BibTeX
• Philip N. Judson:
  Structural similarity searching using descriptors developed for structure-activity relationship studies. [Erratum to document cited in CA117: 233063]. 1028
  Electronic Edition (link) BibTeX

Volume 34, Number 5, September 1994

• Edward C. Kirby:
  Sensitivity of Topological Indexes to Methyl Group Branching in Octanes and Azulenes, or What Does a Topological Index Index? 1030-1035
  Electronic Edition (link) BibTeX
• M. Victor Wickerhauser:
  Large-Rank Approximate Principal Component Analysis with Wavelets for Signal Feature Discrimination and the Inversion of Complicated Maps. 1036-1046
  Electronic Edition (link) BibTeX
• Miquel Solà, Jordi Mestres, Miquel Duran, Ramon Carbó:
  Ab Initio Quantum Molecular Similarity Measures on Metal-Substituted Carbonic Anhydrase (MIICA, M = Be, Mg, Mn, Co, Ni, Cu, Zn, and Cd). 1047-1053
  Electronic Edition (link) BibTeX
• K. Rupnik, L. Klasinc, M. Varma, J. Battista, Sean P. McGlynn:
  Lesion Spectra: Radiation Signatures and Biological Gateways. 1054-1063
  Electronic Edition (link) BibTeX
• Mircea V. Diudea:
  Molecular Topology. 16. Layer Matrixes in Molecular Graphs. 1064-1071
  Electronic Edition (link) BibTeX
• Mircea V. Diudea, Mihai Topan, Ante Graovac:
  Molecular Topology. 17. Layer Matrixes of Walk Degrees. 1072-1078
  Electronic Edition (link) BibTeX
• István Lukovits:
  Formulas for the Hyper-Wiener Index of Trees. 1079-1081
  Electronic Edition (link) BibTeX
• Andrey A. Dobrynin, Amide A. Kochetova:
  Degree Distance of a Graph: A Degree Analog of the Wiener Index. 1082-1086
  Electronic Edition (link) BibTeX
• Ivan Gutman:
  Selected properties of the Schultz molecular topological index. 1087-1089
  Electronic Edition (link) BibTeX
• Tomaz Pisanski, Arjana Zitnik, Ante Graovac, Anton Baumgartner:
  Rotagraphs and Their Generalizations. 1090-1093
  Electronic Edition (link) BibTeX
• Geoffrey M. Downs, Peter Willett, William Fisanick:
  Similarity Searching and Clustering of Chemical-Structure Databases Using Molecular Property Data. 1094-1102
  Electronic Edition (link) BibTeX
• Krishnan Balasubramanian:
  Are There Signed Cospectral Graphs? 1103-1104
  Electronic Edition (link) BibTeX
• Ivan V. Stankevich, Elena G. Gal'pern, Anatolii L. Chistyakov, Igor I. Baskin, Mariya I. Skvortsova, Nikolai S. Zefirov, Oleg B. Tomilin:
  Spectral Theory of Graphs in Chemistry. 1. Projection Operators and Canonical Numeration of Graph Vertices. 1105-1108
  Electronic Edition (link) BibTeX
• Vladimir Kvasnicka, Jiri Pospichal:
  Fast Evaluation of Chemical Distance by Tabu Search Algorithm. 1109-1112
  Electronic Edition (link) BibTeX
• Musiri M. Balakrishnarajan, Ponnambalam Venuvanalingam:
  Learning Approach for the Computation of Generalized Wheland Polynomials of Chemical Graphs. 1113-1117
  Electronic Edition (link) BibTeX
• Alexandru T. Balaban, Subhash C. Basak, Timothy Colburn, Gregory D. Grunwald:
  Correlation between Structure and Normal Boiling Points of Haloalkanes C1-C4 Using Neural Networks. 1118-1121
  Electronic Edition (link) BibTeX
• Musiri M. Balakrishnarajan, Ponnambalam Venuvanalingam:
  General Method for the Computation of Matching Polynomials of Graphs. 1122-1126
  Electronic Edition (link) BibTeX
• Bojan Mohar:
  Extremal Mono-q-polyhexes. 1127-1129
  Electronic Edition (link) BibTeX
• Anil K. Sharma, Sohail Sheikh, Istvan Pelczer, George C. Levy:
  Classification and Clustering: Using Neural Networks. 1130-1139
  Electronic Edition (link) BibTeX
• Yiqiu Yang, Lu Xu, Chang-Yu Hu:
  Extended Adjacency Matrix Indices and Their Applications. 1140-1145
  Electronic Edition (link) BibTeX
• Krishnan Balasubramanian:
  Computer Generation of Automorphism Groups of Weighted Graphs. 1146-1150
  Electronic Edition (link) BibTeX
• Harry P. Schultz, Emily B. Schultz, Tor P. Schultz:
  Topological Organic Chemistry. 8. Graph Theory and Topological Indexes of Heteronuclear Systems. 1151-1157
  Electronic Edition (link) BibTeX
• R. Esen, H. Kavak:
  Spectrum Digitizing and Conditioning for the Infrared Library of Amorphous Silicon Alloys. 1158-1161
  Electronic Edition (link) BibTeX
• Poonam Dang, A. K. Madan:
  Structure-Activity Study on Anticonvulsant (Thio) Hydantoins Using Molecular Connectivity Indices. 1162-1166
  Electronic Edition (link) BibTeX
• Benjamin M. Gimarc, Anna R. Brant:
  Bullvalene: Reaction Graphs Relating Polysubstituted Positional Isomers. 1167-1173
  Electronic Edition (link) BibTeX
• Sven J. Cyvin, Bjørg N. Cyvin, Jon Brunvoll, Egil Brendsdal:
  Enumeration and Classification of Certain Polygonal Systems Representing Polycyclic Conjugated Hydrocarbons: Annelated Catafusenes. 1174-1180
  Electronic Edition (link) BibTeX
• Padmakar V. Khadikar, Narayan V. Deshpande, Prabhakar P. Kale, Ivan Gutman:
  Spectral Moments of Polyacenes. 1181-1183
  Electronic Edition (link) BibTeX
• Lowell H. Hall, Jeffrey B. Fisk:
  Computer Generation of Vertex Degree Sets for Chemical Graphs from Number of Vertices and Rings. 1184-1189
  Electronic Edition (link) BibTeX
• Peter I. Nagy, John Tokarski, Anton J. Hopfinger:
  Molecular Shape and QSAR Analyses of a Family of Substituted Dichlorodiphenyl Aromatase Inhibitors. 1190-1197
  Electronic Edition (link) BibTeX
• Jorge Gálvez, Ramón García-Domenech, Jesús Vicente de Julián-Ortiz, Rosa Soler:
  Topological Approach to Analgesia. 1198-1203
  Electronic Edition (link) BibTeX
• Jean-Loup Faulon:
  Stochastic Generator of Chemical Structure. 1. Application to the Structure Elucidation of Large Molecules. 1204-1218
  Electronic Edition (link) BibTeX
• George W. A. Milne, Marc C. Nicklaus, John S. Driscoll, Shaomeng Wang, Daniel W. Zaharevitz:
  National Cancer Institute Drug Information System 3D Database. 1219-1224
  Electronic Edition (link) BibTeX

Volume 34, Number 6, November 1994

• Frank R. Burden:
  Mapping Analytic Functions Using Neural Networks. 1229-1231
  Electronic Edition (link) BibTeX
• Long-Biao Yin:
  Classification Results of Mass Spectra of Toxic Compounds by Class Modeling. 1232-1234
  Electronic Edition (link) BibTeX
• Giuseppe Balacco:
  SwaN-NMR: A Complete and Expansible NMR Software for the Macintosh. 1235-1241
  Electronic Edition (link) BibTeX
• Shaomeng Wang, George W. A. Milne, Gilles Klopman:
  Graph Theory and Group Contributions in the Estimation of Boiling Points. 1242-1250
  Electronic Edition (link) BibTeX
• Chang-Yu Hu, Lu Xu:
  On Hall and Kier's Topological State and Total Topological Index. 1251-1258
  Electronic Edition (link) BibTeX
• Huixiao Hong, Xin Xinquan:
  ESSESA: An Expert System for Structure Elucidation from Spectra. 5. Substructure Constraints from Analysis of First-Order 1H-NMR Spectra. 1259-1266
  Electronic Edition (link) BibTeX
• Jun Liu, Yuansheng Jiang:
  New Method for Constructing Isospectral Graphs. 1267-1272
  Electronic Edition (link) BibTeX
• Sergey Vyazovkin, Wolfgang Linert:
  Evaluation and Application of Isokinetic Relationships: The Thermal Decomposition of Solids under Nonisothermal Conditions. 1273-1278
  Electronic Edition (link) BibTeX
• Brian T. Luke:
  Evolutionary Programming Applied to the Development of Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships. 1279-1287
  Electronic Edition (link) BibTeX
• Didier Villemin, Driss Cherqaoui, Abdelhalim Mesbah:
  Predicting Carcinogenicity of Polycyclic Aromatic Hydrocarbons from Back-Propagation Neural Network. 1288-1293
  Electronic Edition (link) BibTeX
• Seymour B. Elk:
  Simplified Nomenclature of a Hexagonal Tessellation Lattice Using a Dimension-Increasing Transformation. 1294-1296
  Electronic Edition (link) BibTeX
• Jonathan Greene, Scott D. Kahn, Hamid Savoj, Peter Sprague, Steven L. Teig:
  Chemical Function Queries for 3D Database Search. 1297-1308
  Electronic Edition (link) BibTeX
• Paul Pixner, Wolfgang Heiden, Hendrik Merx, Gerd Moeckel, Andreas Moeller, Jürgen Brickmann:
  Empirical Method for the Quantification and Localization of Molecular Hydrophobicity. 1309-1319
  Electronic Edition (link) BibTeX
• Gilles Klopman, Mario Dimayuga, Joseph Talafous:
  META. 1. A Program for the Evaluation of Metabolic Transformation of Chemicals. 1320-1325
  Electronic Edition (link) BibTeX
• Joseph Talafous, Lawrence M. Sayre, John J. Mieyal, Gilles Klopman:
  META. 2. A Dictionary Model of Mammalian Xenobiotic Metabolism. 1326-1333
  Electronic Edition (link) BibTeX
• Lemont B. Kier, Chao-Kun Cheng:
  A Cellular Automata Model of an Aqueous Solution. 1334-1337
  Electronic Edition (link) BibTeX