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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, Janusz 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
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. Güner, 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, Göran 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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