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ORCIDJournal of Chemical Information and Computer Sciences, Volume 28
Volume 28, Number 1, February 1988
- Shinsaku Fujita:
Logical perception of ring-opening, ring-closure, and rearrangement reactions based on imaginary transition structures. Selection of the essential set of essential rings (ESER). 1-9 - Alan H. Lipkus, Morton E. Munk:
Automated classification of candidate structures for computer-assisted structure elucidation. 9-18 - Kimito Funatsu
, Nobuyoshi Miyabayashi, Shin-ichi Sasaki:
Further development of structure generation in the automated structure elucidation system CHEMICS. 18-28 - Ratko Tosic, Milovan Kovacevic:
Generating and counting unbranched catacondensed benzenoids. 29-31 - David Weininger:
SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules. 31-36 - Yecheskel Wolman:
CHEMTEXT. 36-37 - Allan L. Smith:
ChemIntosh and ChemPanion, organic structure-drawing desk accessories for the Apple Macintosh. 37-38 - Eliot M. Herman:
Review of Bio-Rad MacReader ELISA reader software. 39-40
Volume 28, Number 2, May 1988
- Charles L. Bernier:
Cooperative intelligence ecosystems: a proposed design. 41-47 - Robert Fugmann, G. Ploss, Jakob Hermann Winter:
Supply of information on chemical reactions. An advanced, topology-based method. 47-53 - Cheng Qian, Charles L. Wilkins:
Data access subroutine package for spectrometric data bases. 53-59 - Milan Randic, Peter J. Hansen, Peter C. Jurs:
Search for useful graph theoretical invariants of molecular structure. 60-68 - Wendy A. Warr, Angela R. Haygarth Jackson:
End-user searching of CAS ONLINE. Results of a cooperative experiment between Imperial Chemical Industries and Chemical Abstracts Service. 68-72 - Shin-ichi Nakayama, Satoko Shigezumi, Masayuki Yoshida:
Method for clustering proteins by use of all possible pairs of amino acids as structural descriptors. 72-78 - Shinsaku Fujita:
A new algorithm for selection of synthetically important rings. The essential set of essential rings for organic structures. 78-82 - Akkihebbal L. Ananda, S. M. Foo, Hari Gunasingham:
Knowledge representation using an augmented planning network: application to an expert system for planning HPLC separations. 82-86 - Bradley D. Christie, Morton E. Munk:
Structure generation by reduction: a new strategy for computer-assisted structure elucidation. 87-93 - Reiner Luckenbach:
The free flow of information: an utopia? Ways to improve scientific and technological information and its international exchange. 94-99 - John E. Gordon:
Chemical inference. 3. Formalization of the language of relational chemistry: ontology and algebra. 100-115 - D. Turk, Jure Zupan:
ALCHEMY. 116-118 - Jure Zupan:
GRAPH X. 118-119 - Charles F. Hammer, Robert De Levie:
WordStar Professional 4. 119-122 - Richard Love:
SciMate Software System. Version 2.1. 122-123
Volume 28, Number 3, August 1988
- Gordon M. Crippen, Andrew Smellie, Jeffrey W. Peng:
Use of augmented Lagrangians in the calculation of molecular conformations by distance geometry. 125-128 - Shinsaku Fujita:
Canonical numbering and coding of imaginary transition structures. A novel approach to the linear coding of individual organic reactions. 128-137 - Shinsaku Fujita:
Canonical numbering and coding of reaction center graphs and reduced reaction center graphs abstracted from imaginary transition structures. A novel approach to the linear coding of reaction types. 137-142 - Milan Randic:
Ring ID numbers. 142-147 - J. H. Borkent, F. Oukes, Jan H. Noordik:
Chemical reaction searching compared in REACCS, SYNLIB, and ORAC. 148-150 - Kurt L. Loening:
ACS Committee on Nomenclature: Annual Report for 1987. 150-153 - John E. Mills, Cynthia A. Maryanoff, Kirk L. Sorgi, Lorainne Scott, Robin Stanzione:
REACCS in the chemical development environment. 1. 153-155 - John E. Mills, Cynthia A. Maryanoff, Kirk L. Sorgi, Robin Stanzione, Lorraine Scott, Leonard Herring, Julie Spink, Barbara Baughman, William Bullock:
REACCS in the chemical development environment. 2. Structure and construction of proprietary databases. 155-159 - W. A. Schlieper, Thomas L. Isenhour, John C. Marshall:
Using analytical data to build expert systems. 159-163 - Yecheskel Wolman:
NBS Standard Reference Database, NBS/EPA/MSDC Mass Spectral Database PC version. 164
Volume 28, Number 4, November 1988
- George C. Levy:
How changes in computer technology are revolutionizing the practice of chemistry. 167-174 - Karen A. Hamill, R. David Nelson, Gerald G. Vander Stouw, Robert E. Stobaugh:
Chemical Abstracts Service Chemical Registry System. 10. Registration of substances from pre-1965 indexes of Chemical Abstracts. 175-179 - Robert E. Stobaugh:
Chemical Abstracts Service Chemical Registry System. 11. Substance-related statistics: update and additions. 180-187 - Nikolai S. Zefirov, Ekaterina Gordeeva, Serge S. Tratch:
Problems of molecular design and the computer. 11. The FLAMINGOES program system for the nonempirical solution of structural problems of organic chemistry. The BASIC program oriented for the microcomputer. 188-193 - James F. Brinkley, Russ B. Altman, Bruce S. Duncan, Bruce G. Buchanan, Oleg Jardetzky:
Heuristic refinement method for the derivation of protein solution structures: validation on cytochrome b562. 194-210 - Hari Gunasingham, Mun Leong Wong:
Deterministic control in knowledge-based systems: application to the development of a cybernetic analytical instrument. 211-215 - Thomas L. Isenhour, Peter de B. Harrington:
TORTS: an expert system for temporal optimization of robotic procedures. 215-221 - Olumide Owolabi:
An efficient graph approach to matching chemical structures. 221-226 - Timothy J. Hyman, Eilis A. Boudreau, Gilles G. Martin, Beat M. Jucker, Philip N. Borer, George C. Levy:
Carbon-13 NMR assignments of the bases in oligodeoxynucleotides: an automated procedure using Bayesian statistics. 226-230 - Marjana Novic, Jure Zupan:
T3 scientific word processing system. 231-232 - Gary W. Small:
NMR simulator and IR simulator. 232-234
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