Journal of Chemical Information and Computer Sciences, Volume 27

Volume 27, Number 1, February 1987

• Gary Wiggins:
  Chemical information science coverage in Chemical Abstracts. 1-3
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• V. Zitko:
  Computer as a versatile research assistant. 3-7
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• H. N. Cheng:
  Computerized model fitting approach for the NMR analysis of polymers. 8-13
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• Jon Brunvoll, Bjørg N. Cyvin, Sven J. Cyvin:
  Enumeration and classification of coronoid hydrocarbons. 14-21
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• Arup K. Ghose, Gordon M. Crippen:
  Atomic physicochemical parameters for three-dimensional-structure-directed quantitative structure-activity relationships. 2. Modeling dispersive and hydrophobic interactions. 21-35
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• Daniel P. Dolata, Robert E. Carter:
  WIZARD: applications of expert system techniques to conformational analysis. 1. The basic algorithms exemplified on simple hydrocarbons. 36-47
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• John C. Marshall:
  Software review: CHEMBASE. 47-49
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Volume 27, Number 2, May 1987

• Ronald L. Wigington:
  Evolution of information technology and its impacts on chemical information. 51-55
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• Dale B. Baker:
  Chemical information flow across international borders: problems and solutions. 55-59
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• Hideaki Chihara:
  Factors involved in Japan's contribution to international chemical information activities: present status and prospects. 59-62
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• James B. Hendrickson, Ping Huang, A. Glenn Toczko:
  Molecular complexity: a simplified formula adapted to individual atoms. 63-67
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• Seymour B. Elk:
  An algorithm to identify and count coplanar isomeric molecules formed by the linear fusion of cyclopentane modules. 67-69
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• Seymour B. Elk:
  Topological considerations subtly inherent in the formulation and subdivision of fused vs. bridged ring compounds. 70-73
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• Jacques-Emile Dubois, Annick Panaye, Roger Attias:
  DARC system: notions of defined and generic substructures. Filiation and coding of FREL substructure (SS) classes. 74-82
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• Ramaswamy Nilakantan, Norman Bauman, J. Scott Dixon, R. Venkataraghavan:
  Topological torsion: a new molecular descriptor for SAR applications. Comparison with other descriptors. 82-85
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• Yong Chien Ling, Mark T. Bernius, George H. Morrison:
  SIMIPS: secondary ion mass image processing system. 86-94
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Volume 27, Number 3, August 1987

• Hendrik J. Luinge, Gerard J. Kleywegt, Henk A. Van't Klooster, John H. Van der Maas:
  Artificial intelligence used for the interpretation of combined spectral data. 3. Automated generation of interpretation rules for infrared spectral data. 95-99
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• Shinsaku Fujita:
  Description of organic reactions based on imaginary transition structures. 6. Classification and enumeration of two-string reactions with one common node. 99-104
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• Shinsaku Fujita:
  Description of organic reactions based on imaginary transition structures. 7. Classification and enumeration of two-string reactions with two or more common nodes. 104-110
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• Shinsaku Fujita:
  Description of organic reactions based on imaginary transition structures. 8. Synthesis space attached by a charge space and three-dimensional imaginary transition structures with charges. 111-115
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• Shinsaku Fujita:
  Description of organic reactions based on imaginary transition structures. 9. Single-access perception of rearrangement reactions. 115-120
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• Shinsaku Fujita:
  Structure-reaction type paradigm in the conventional methods of describing organic reactions and the concept of imaginary transition structures overcoming this paradigm. 120-126
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• Valerie J. Gillet, Geoffrey M. Downs, Ai Ling, Michael F. Lynch, Pallapa Venkataram, Jennifer V. Wood, Winfried Dethlefsen:
  Computer storage and retrieval of generic chemical structures in patents. 8. Reduced chemical graphs and their applications in generic chemical structure retrieval. 126-137
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• W. A. Schlieper, Thomas L. Isenhour, John C. Marshall:
  ARTS: a flexible laboratory instrument control language. 137-143
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Volume 27, Number 4, November 1987

• Carlos M. Bowman, John A. Nosal, Anne E. Rogers:
  Effect of new technology on information transfer in the 1990's. 147-151
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• Andrew T. Brint, Peter Willett:
  Algorithms for the identification of three-dimensional maximal common substructures. 152-158
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• Clara Martinez, John Lucey, Elliott Linder:
  Expert system for machine-aided indexing. 158-162
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• M. Leonor Contreras, Mauricio Deliz, Roberto Rozas:
  Personal microcomputer based system of chemical information with topological structure data elaboration. 163-167
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• Salem Jagannathan, Frank D. Blum, Carl F. Polnaszek:
  Computer simulation of deuterium NMR lineshapes. 167-170
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• Jon Brunvoll, Bjørg N. Cyvin, Sven J. Cyvin:
  Enumeration and classification of benzenoid hydrocarbons. 2. Symmetry and regular hexagonal benzenoids. 171-177
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• Soichi Tokizane, Tsukasa Monjoh, Hideaki Chihara:
  Computer storage and retrieval of generic chemical structures using structure attributes. 177-187
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