Journal of Chemical Information and Computer Sciences, Volume 31

Volume 31, Number 1, February 1991

• Lucille J. Brown:
  The Markush challenge. 2-4
  
• James F. Sibley:
  Too broad generic disclosures: a problem for all. 5-9
  
• George W. A. Milne:
  Very broad Markush claims; a solution or a problem? Proceedings of a round-table discussion held on August 29, 1990. 9-30
  
• Tommy Ebe, Karen A. Sanderson, Patricia S. Wilson:
  The Chemical Abstracts Service generic chemical (Markush) structure storage and retrieval capability. 2. The MARPAT file. 31-36
  
• Robert N. Wilke:
  Searching for simple generic structures. 36-40
  
• Kathleen A. Cloutier:
  A comparison of three online Markush databases. 40-44
  
• Edlyn S. Simmons:
  The grammar of Markush structure searching: vocabulary vs. syntax. 45-53
  
• Norman R. Schmuff:
  A comparison of the MARPAT and Markush DARC software. 53-59
  
• Michael P. O'Hara, Catherine Pagis:
  The PHARMSEARCH database. 59-63
  
• John M. Barnard:
  A comparison of different approaches to Markush structure handling. 64-68
  
• Ernst Meyer:
  Computer representation and handling of structures: retrospect and prospect. 68-75
  
• Lowell H. Hall, Brian Mohney, Lemont B. Kier:
  The electrotopological state: structure information at the atomic level for molecular graphs. 76-82
  
• Donald J. Polton:
  A comment on nomenclature and the unsaturated bond. 82-83
  
• Jan V. Knop, Wolfgang R. Mueller, Klaus Szymanski, Nenad Trinajstic:
  On the determinant of the adjacency-plus-distance matrix as the topological index for characterizing alkanes. 83-84
  
• Howard M. Dess:
  Online search strategies for semiconductor or superconductor materials. 84-89
  
• Jerry Ray Dias:
  Benzenoid series having a constant number of isomers. 3. Total resonant sextet benzenoids and their topological characteristics. 89-96
  
• Eric Fontain, Klaus Reitsam:
  The generation of reaction networks with RAIN. 1. The reaction generator. 96-101
  
• James B. Hendrickson, Camden A. Parks:
  Generation and enumeration of carbon skeletons. 101-107
  
• Josef Barthel, Heribert Popp:
  ELDAR, a knowledge base system on microcomputer for electrolyte solutions. The factual knowledge of ELDAR. 107-115
  
• Gerald L. Curnutt, Kirk L. Curnutt:
  Reactive chemical hedges: a search tool for comprehensive retrieval of chemical safety data. 116-119
  
• Michael L. Mavrovouniotis:
  Empirical stability rules and conjugation in the estimation of enthalpies of formation. 120-123
  
• Gerta Rücker, Christoph Rücker:
  On using the adjacency matrix power method for perception of symmetry and for isomorphism testing of highly intricate graphs. 123-126
  
• Mark D. Jackson:
  Graphical analysis and visualization of 3-D properties of molecules and solids. 127-131
  
• Raymond S. Ochs, Kenneth Conrow:
  A computerized metabolic map. 132-137
  
• Belgin D. Barkenbus, Beverly C. Zygmunt, Jerome E. Dobson:
  HMIMS: Hazardous Materials Incident Management System for Air Force fire departments. 137-143
  
• Harry P. Schultz, Tor P. Schultz:
  Topological organic chemistry. 3. Graph theory, binary and decimal adjacency matrices, and topological indices of alkanes. 144-147
  
• Sabine Martin, Guenter Bergerhoff:
  Chemical Abstracts ONLINE: a study of the quality of controlled terms. 147-152
  
• G. H. Kirby, M. R. Lord, J. D. Rayner:
  Computer translation of IUPAC systematic organic chemical nomenclature. 6. (Semi)automatic name correction. 153-160
  
• David F. Ilten:
  DETHERM: Thermophysical property data for the optimization of heat-transfer equipment. 160-167
  

Volume 31, Number 2, May 1991

• George W. A. Milne, Peter Willett:
  A tribute of Michael F. Lynch. 175
  
• William G. Town:
  Integration of microcomputer and mainframe information systems. 176-180
  
• Wendy A. Warr:
  Some observations on piecemeal electronic publishing solutions in the pharmaceutical industry. 181-186
  
• Frank H. Allen, John E. Davies, Jean J. Galloy, Owen Johnson, Olga Kennard, Clare F. Macrae, Eleanor M. Mitchell, Gary F. Mitchell, J. Michael Smith, David G. Watson:
  The development of versions 3 and 4 of the Cambridge Structural Database System. 187-204
  
• James E. Blackwood, Paul E. Blower Jr., S. W. Layten, D. H. Lillie, Alan H. Lipkus, J. P. Peer, C. Qian, L. M. Staggenborg, Charles E. Watson:
  Chemical Abstracts Service Chemical Registry System. 13. Enhanced handling of stereochemistry. 204-212
  
• David Bawden:
  Classification of chemical reactions: potential, possibilities and continuing relevance. 212-216
  
• L. Goebels, A. J. Lawson, J. L. Wisniewski:
  AUTONOM: system for computer translation of structural diagrams into IUPAC-compatible names. 2. Nomenclature of chains and rings. 216-225
  
• Peter Willett, Terence Wilson, Stewart F. Reddaway:
  Atom-by-atom searching using massive parallelism. Implementation of the Ullmann subgraph isomorphism algorithm on the distributed array processor. 225-233
  
• Winfried Dethlefsen, Michael F. Lynch, Valerie J. Gillet, Geoffrey M. Downs, John D. Holliday, John M. Barnard:
  Computer storage and retrieval of generic chemical structures in patents. 11. Theoretical aspects of the use of structure languages in a retrieval system. 233-253
  
• Winfried Dethlefsen, Michael F. Lynch, Valerie J. Gillet, Geoffrey M. Downs, John D. Holliday, John M. Barnard:
  Computer storage and retrieval of generic chemical structures in patents. 12. Principles of search operations involving parameter lists: matching-relations, user-defined match levels, and transition from the reduced graph search to the refined search. 253-260
  
• Valerie J. Gillet, Geoffrey M. Downs, John D. Holliday, Michael F. Lynch, Winfried Dethlefsen:
  Computer storage and retrieval of generic chemical structures in patents. 13. Reduced graph generation. 260-270
  
• K. W. Raymond:
  A LISP program for the generation of IUPAC names from chemical structures. 270-274
  
• Martin Caffrey, Denis Moynihan, Jacqueline Hogan:
  A database of lipid-phase transition temperatures and enthalpy changes. 275-284
  
• Karl Heinz Franzreb, Pia Hornbach, Claudia Pahde, Gottfried Ploss, Juergen Sander:
  Structure searches in patent literature: A comparison study between IDC GREMAS and Derwent Chemical Code. 284-289
  
• David C. Mason, C. J. Oddy, A. J. Rye, Sarah B. M. Bell, M. Illingworth, K. Preedy, C. Angelikaki, E. Pearson:
  A spatial database manager for a generic image-understanding system. 290-297
  
• Philip M. Sargent:
  Technical data interchange using tabular formats. 297-300
  
• David T. Stanton, Peter C. Jurs, Martin G. Hicks:
  Computer-assisted prediction of normal boiling points of furans, tetrahydrofurans, and thiophenes. 301-310
  
• Milan Randic:
  Resolution of ambiguities in structure-property studies by use of orthogonal descriptors. 311-320
  
• Laszlo Domokos:
  The Beilstein Structure Registry System. 1. General design. 320-326
  
• Sydney R. Hall:
  The STAR file: a new format for electronic data transfer and archiving. 326-333
  
• Camden A. Parks, James B. Hendrickson:
  Enumeration of monocyclic and bicyclic carbon skeletons. 334-339
  
• Sven J. Cyvin:
  Enumeration and Classification of Benzenoid Hydrocarbons. 17. Further Developments for Constant-Isomer Series. 340-344
  
• Robert Whaley, Louis Hodes:
  Clustering a large number of compounds. 2. Using the connection machine. 345-347
  
• Louis Hodes, Alfred Feldman:
  Clustering a large number of compounds. 3. The limits of classification. 347-350
  
• Clemens Jochum:
  Winword. 350-352
  
• Stephen R. Heller:
  The NIST/EPA/MSDC Mass Spectra Database, PC Version 3.0. 352-354
  
• Stephen R. Heller:
  Pro-Search, Pro-Cite, and Biblio-Links. 354-355
  
• Karl R. Schneider:
  The PESTICIDES Disk. 355-357
  
• Richard G. Lawson, Peter C. Jurs:
  Cluster analysis of acrylates to guide sampling for toxicity testing. 361
  

Volume 31, Number 3, August 1991

• Keisuke Araki, Masanori Kaji:
  A stereochemically accurate chemical substance database based on the systematic names of organic compounds. 1. Low molecular weight organic compounds. 363-374
  
• Lu Xu, Guoquan Li, Shuyun Wang, Hong Lu, Huayun Wang, Chang-Yu Hu, Xuhong Jiang, Yonghui Xiao, Yunde Xiao, Xiangyu Lu:
  CIAC comprehensive information system of rare earths. 375-380
  
• Ludek Matyska, Jaroslav Koca:
  MAPOS: a computer program for organic synthesis design based on synthon model of organic chemistry. 380-386
  
• Andrew Smellie, Gordon M. Crippen, W. Graham Richards:
  Fast drug-receptor mapping by site-directed distances: a novel method of predicting new pharmacological leads. 386-392
  
• Barry Wythoff, Xiao Hong-Kui, Steven P. Levine, Sterling A. Tomellini:
  Computer-assisted infrared identification of vapor-phase mixture components. 392-399
  
• Edward R. Ritter:
  THERM: a computer code for estimating thermodynamic properties for species important to combustion and reaction modeling. 400-408
  
• Osman F. Guner, David W. Hughes, Lise M. Dumont:
  An integrated approach to three-dimensional information management with MACCS-3D. 408-414
  
• Tatsuya Akutsu:
  A new method of computer representation of stereochemistry. Transforming a stereochemical structure into a graph. 414-417
  
• Scott Davidson:
  Compact numeric alkane codes derived from IUPAC nomenclature. 417-422
  
• Gerta Rücker, Christoph Rücker:
  Isocodal and isospectral points, edges, and pairs in graphs and how to cope with them in computerized symmetry recognition. 422-427
  

Volume 31, Number 4, November 1991

• Stuart M. Kaback:
  There's more to a polymer than just its build. 439-443
  
• Nancy Lambert:
  Online searching of polymer patents: precision and recall. 443-446
  
• Alan J. Gushurst, James G. Nourse, W. Douglas Hounshell, Burton A. Leland, David G. Raich:
  The substance module: the representation, storage, and searching of complex structures. 447-454
  
• Julie A. Briggs, Edgar A. Ferns, Kathleen E. Shenton:
  Improvements in Derwent Plasdoc system. 454-458
  
• Monica D. Rieder:
  The IFI polymer indexing system: its past, present, and future. 458-462
  
• Robert N. Wilke, Robert E. Buntrock:
  Condensation polymer information: problems and opportunities. 463-468
  
• M. Herz:
  Polymer searching in different databases. 469-475
  
• Christine Green:
  The Rapra Abstracts Rubber and Plastics Database. 476-481
  
• A. S. Shalabi:
  Random walks: computations and applications to chemistry. 483-491
  
• Johnny Lee, K. Eric Nottingham, Laurence W. Strattan:
  The NEIC Organic Analysis Reporting System. 491-495
  
• Takashi Nakayama:
  Computer-assisted knowledge acquisition system for synthesis planning. 495-503
  
• István Lukovits:
  General formulas for the Wiener Index. 503-507
  
• Per Erik Jansson, Lennart Kenne, Goeran Widmalm:
  CASPER: a computer program used for structural analysis of carbohydrates. 508-516
  
• Alexandru T. Balaban, Dan Ciubotariu, Mihai Medeleanu:
  Topological indices and real number vertex invariants based on graph eigenvalues or eigenvectors. 517-523
  
• C. L. Gladys, Alan L. Goodson:
  Numbering of interior atoms in fused ring systems. 523-526
  
• Ramaswamy Nilakantan, Norman Bauman, R. Venkataraghavan:
  A method for automatic generation of novel chemical structures and its potential applications to drug discovery. 527-530
  
• Simona Bohanec, Jure Zupan:
  Structure generation of constitutional isomers from structural fragments. 531-540
  
• Shinsaku Fujita:
  Subductive and inductive derivation for designing molecules of high symmetry. 540-546
  
• J. R. Lee, Thomas L. Isenhour, John C. Marshall:
  Application of standard robotic methods to water analysis. 546-551
  
• Jianji Wang, Fangzhi Gu:
  Enumeration of isomers of polyethers. 552-554
  
• Raúl E. Valdés-Pérez:
  A canonical representation of multistep reactions. 554-556
  
• Jacques-Emile Dubois, Michel Carabedian:
  Single-resonance subspectra/substructure investigations of the carbon-13 DARC databank. Representation of local and global topological knowledge. 557-564
  
• Michel Carabedian, Jacques-Emile Dubois:
  A combined model of multi-resonance subspectra/substructure and DARC topological structure representation. Local and global knowledge in the carbon-13 NMR DARC database. 564-574
  
• Jacques-Emile Dubois, Gerard Carrier, Annick Panaye:
  DARC topological descriptors for pattern recognition in molecular database management systems and design. 574-578
  

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