Volume 31,
Number 1,
February 1991
- Lucille J. Brown:
The Markush challenge.
2-4
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- James F. Sibley:
Too broad generic disclosures: a problem for all.
5-9
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- 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
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- 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
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- Robert N. Wilke:
Searching for simple generic structures.
36-40
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- Kathleen A. Cloutier:
A comparison of three online Markush databases.
40-44
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- Edlyn S. Simmons:
The grammar of Markush structure searching: vocabulary vs. syntax.
45-53
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- Norman R. Schmuff:
A comparison of the MARPAT and Markush DARC software.
53-59
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- Michael P. O'Hara, Catherine Pagis:
The PHARMSEARCH database.
59-63
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- John M. Barnard:
A comparison of different approaches to Markush structure handling.
64-68
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- Ernst Meyer:
Computer representation and handling of structures: retrospect and prospect.
68-75
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- Lowell H. Hall, Brian Mohney, Lemont B. Kier:
The electrotopological state: structure information at the atomic level for molecular graphs.
76-82
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- Donald J. Polton:
A comment on nomenclature and the unsaturated bond.
82-83
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- 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
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- Howard M. Dess:
Online search strategies for semiconductor or superconductor materials.
84-89
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- Jerry Ray Dias:
Benzenoid series having a constant number of isomers. 3. Total resonant sextet benzenoids and their topological characteristics.
89-96
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- Eric Fontain, Klaus Reitsam:
The generation of reaction networks with RAIN. 1. The reaction generator.
96-101
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- James B. Hendrickson, Camden A. Parks:
Generation and enumeration of carbon skeletons.
101-107
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- Josef Barthel, Heribert Popp:
ELDAR, a knowledge base system on microcomputer for electrolyte solutions. The factual knowledge of ELDAR.
107-115
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- Gerald L. Curnutt, Kirk L. Curnutt:
Reactive chemical hedges: a search tool for comprehensive retrieval of chemical safety data.
116-119
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- Michael L. Mavrovouniotis:
Empirical stability rules and conjugation in the estimation of enthalpies of formation.
120-123
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- 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
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- Mark D. Jackson:
Graphical analysis and visualization of 3-D properties of molecules and solids.
127-131
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- Raymond S. Ochs, Kenneth Conrow:
A computerized metabolic map.
132-137
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- Belgin D. Barkenbus, Beverly C. Zygmunt, Jerome E. Dobson:
HMIMS: Hazardous Materials Incident Management System for Air Force fire departments.
137-143
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- Harry P. Schultz, Tor P. Schultz:
Topological organic chemistry. 3. Graph theory, binary and decimal adjacency matrices, and topological indices of alkanes.
144-147
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- Sabine Martin, Guenter Bergerhoff:
Chemical Abstracts ONLINE: a study of the quality of controlled terms.
147-152
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- G. H. Kirby, M. R. Lord, J. D. Rayner:
Computer translation of IUPAC systematic organic chemical nomenclature. 6. (Semi)automatic name correction.
153-160
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- David F. Ilten:
DETHERM: Thermophysical property data for the optimization of heat-transfer equipment.
160-167
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Volume 31,
Number 2,
May 1991
- George W. A. Milne, Peter Willett:
A tribute of Michael F. Lynch.
175
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- William G. Town:
Integration of microcomputer and mainframe information systems.
176-180
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- Wendy A. Warr:
Some observations on piecemeal electronic publishing solutions in the pharmaceutical industry.
181-186
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- 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
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- 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
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- David Bawden:
Classification of chemical reactions: potential, possibilities and continuing relevance.
212-216
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- 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
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- 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
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- 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
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- 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
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- 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
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- K. W. Raymond:
A LISP program for the generation of IUPAC names from chemical structures.
270-274
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- Martin Caffrey, Denis Moynihan, Jacqueline Hogan:
A database of lipid-phase transition temperatures and enthalpy changes.
275-284
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- 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
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- 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
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- Philip M. Sargent:
Technical data interchange using tabular formats.
297-300
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- David T. Stanton, Peter C. Jurs, Martin G. Hicks:
Computer-assisted prediction of normal boiling points of furans, tetrahydrofurans, and thiophenes.
301-310
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- Milan Randic:
Resolution of ambiguities in structure-property studies by use of orthogonal descriptors.
311-320
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- Laszlo Domokos:
The Beilstein Structure Registry System. 1. General design.
320-326
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- Sydney R. Hall:
The STAR file: a new format for electronic data transfer and archiving.
326-333
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- Camden A. Parks, James B. Hendrickson:
Enumeration of monocyclic and bicyclic carbon skeletons.
334-339
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- Sven J. Cyvin:
Enumeration and Classification of Benzenoid Hydrocarbons. 17. Further Developments for Constant-Isomer Series.
340-344
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- Robert Whaley, Louis Hodes:
Clustering a large number of compounds. 2. Using the connection machine.
345-347
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- Louis Hodes, Alfred Feldman:
Clustering a large number of compounds. 3. The limits of classification.
347-350
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- Clemens Jochum:
Winword.
350-352
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- Stephen R. Heller:
The NIST/EPA/MSDC Mass Spectra Database, PC Version 3.0.
352-354
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- Stephen R. Heller:
Pro-Search, Pro-Cite, and Biblio-Links.
354-355
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- Karl R. Schneider:
The PESTICIDES Disk.
355-357
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- Richard G. Lawson, Peter C. Jurs:
Cluster analysis of acrylates to guide sampling for toxicity testing.
361
Electronic Edition (link) BibTeX
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
Electronic Edition (link) BibTeX
- 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
Electronic Edition (link) BibTeX
- Ludek Matyska, Jaroslav Koca:
MAPOS: a computer program for organic synthesis design based on synthon model of organic chemistry.
380-386
Electronic Edition (link) BibTeX
- 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
Electronic Edition (link) BibTeX
- Barry Wythoff, Xiao Hong-Kui, Steven P. Levine, Sterling A. Tomellini:
Computer-assisted infrared identification of vapor-phase mixture components.
392-399
Electronic Edition (link) BibTeX
- Edward R. Ritter:
THERM: a computer code for estimating thermodynamic properties for species important to combustion and reaction modeling.
400-408
Electronic Edition (link) BibTeX
- Osman F. Guner, David W. Hughes, Lise M. Dumont:
An integrated approach to three-dimensional information management with MACCS-3D.
408-414
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- Tatsuya Akutsu:
A new method of computer representation of stereochemistry. Transforming a stereochemical structure into a graph.
414-417
Electronic Edition (link) BibTeX
- Scott Davidson:
Compact numeric alkane codes derived from IUPAC nomenclature.
417-422
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- 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
Electronic Edition (link) BibTeX
Volume 31,
Number 4,
November 1991
- Stuart M. Kaback:
There's more to a polymer than just its build.
439-443
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- Nancy Lambert:
Online searching of polymer patents: precision and recall.
443-446
Electronic Edition (link) BibTeX
- 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
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- Julie A. Briggs, Edgar A. Ferns, Kathleen E. Shenton:
Improvements in Derwent Plasdoc system.
454-458
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- Monica D. Rieder:
The IFI polymer indexing system: its past, present, and future.
458-462
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- Robert N. Wilke, Robert E. Buntrock:
Condensation polymer information: problems and opportunities.
463-468
Electronic Edition (link) BibTeX
- M. Herz:
Polymer searching in different databases.
469-475
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- Christine Green:
The Rapra Abstracts Rubber and Plastics Database.
476-481
Electronic Edition (link) BibTeX
- A. S. Shalabi:
Random walks: computations and applications to chemistry.
483-491
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- Johnny Lee, K. Eric Nottingham, Laurence W. Strattan:
The NEIC Organic Analysis Reporting System.
491-495
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- Takashi Nakayama:
Computer-assisted knowledge acquisition system for synthesis planning.
495-503
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- István Lukovits:
General formulas for the Wiener Index.
503-507
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- Per Erik Jansson, Lennart Kenne, Goeran Widmalm:
CASPER: a computer program used for structural analysis of carbohydrates.
508-516
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- Alexandru T. Balaban, Dan Ciubotariu, Mihai Medeleanu:
Topological indices and real number vertex invariants based on graph eigenvalues or eigenvectors.
517-523
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- C. L. Gladys, Alan L. Goodson:
Numbering of interior atoms in fused ring systems.
523-526
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- Ramaswamy Nilakantan, Norman Bauman, R. Venkataraghavan:
A method for automatic generation of novel chemical structures and its potential applications to drug discovery.
527-530
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- Simona Bohanec, Jure Zupan:
Structure generation of constitutional isomers from structural fragments.
531-540
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- Shinsaku Fujita:
Subductive and inductive derivation for designing molecules of high symmetry.
540-546
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- J. R. Lee, Thomas L. Isenhour, John C. Marshall:
Application of standard robotic methods to water analysis.
546-551
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- Jianji Wang, Fangzhi Gu:
Enumeration of isomers of polyethers.
552-554
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- Raúl E. Valdés-Pérez:
A canonical representation of multistep reactions.
554-556
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- 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
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- 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
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- 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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Copyright © Sun May 17 00:07:28 2009
by Michael Ley (ley@uni-trier.de)