Journal of Chemical Information and Computer Sciences, Volume 29

Volume 29, Number 1, February 1989

H. Bebak, C. Buse, Wolfgang T. Donner, P. Hoever, H. Jacob, H. Klaus, J. Pesch, J. Roemelt, P. Schilling:
The standard molecular data format (SMD format) as an integration tool in computer chemistry. 1-5
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Kimito Funatsu, Yutaka Susuta, Shin-ichi Sasaki:
Introduction of two-dimensional NMR spectral information to an automated structure elucidation system, CHEMICS. Utilization of 2D-INADEQUATE information. 6-11
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Frank A. Settle, B. I. Diamondstone, H. M. Kingston, Michael A. Pleva:
An expert-database system for sample preparation by microwave dissolution. 1. Selection of analytical descriptors. 11-17
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Randolph C. Wilhoit, Kenneth N. Marsh:
Automation of numerical data compilations. 17-22
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Shinsaku Fujita:
Formulation of isomeric reaction types and systematic enumeration of six-electron pericyclic reactions. 22-30
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Peiming Wang, David B. Neumann:
A database and retrieval system for the NBS tables of chemical thermodynamic properties. 31-38
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Joseph Hilsenrath:
Xerox Desktop Publishing Series-Ventura Publisher Edition (Version 1.1). 39-40
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Clemens Jochum:
Pagemaker. 40-42
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Yecheskel Wolman:
STN Express. 42-43
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Volume 29, Number 2, May 1989

Henri Dou, Parina Hassanaly, Luc Quoniam, Jacky Kister:
Clustering multidisciplinary chemical papers to provide new tools for research management and trends. Application to coal and organic matter oxidation. 45-51
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Joseph L. Armstrong, D. Brynn Hibbert:
Representation and matching of chemical structures by a Prolog program. 51-60
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Xianmin Zheng:
PAD programming and its application in chemistry. 60-66
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Louis Hodes:
Clustering a large number of compounds. 1. Establishing the method on an initial sample. 66-71
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Robert E. Buntrock:
Documentation and indexing of C4 compounds: pathways and pitfalls. 72-78
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Sven J. Cyvin, Jon Brunvoll, Bjørg N. Cyvin:
Distribution of K, the number of Kekule structures, in benzenoid hydrocarbons: normal benzenoids with K up to 110. 79-90
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Danail Bonchev, Ovanes G. Mekenyan, Alexandru T. Balaban:
Iterative procedure for the generalized graph center in polycyclic graphs. 91-97
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David Weininger, Arthur Weininger, Joseph L. Weininger:
SMILES. 2. Algorithm for generation of unique SMILES notation. 97-101
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D. I. Cooke-Fox, G. H. Kirby, J. D. Rayner:
Computer translation of IUPAC systematic organic chemical nomenclature. 1. Introduction and background to a grammar-based approach. 101-105
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D. I. Cooke-Fox, G. H. Kirby, J. D. Rayner:
Computer translation of IUPAC systematic organic chemical nomenclature. 2. Development of a formal grammar. 106-112
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D. I. Cooke-Fox, G. H. Kirby, J. D. Rayner:
Computer translation of IUPAC systematic organic chemical nomenclature. 3. Syntax analysis and semantic processing. 112-118
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Gordon H. Wood, John R. Rodgers, S. Roger Gough:
Canadian Scientific Numeric Database Service. 118-123
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Volume 29, Number 3, August 1989

James B. Hendrickson, A. Glenn Toczko:
SYNGEN program for synthesis design: basic computing techniques. 137-145
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James B. Hendrickson, Ping Huang:
Multiple constructions in synthesis design. 145-151
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Scott Davidson:
An improved IUPAC-based method for identifying alkanes. 151-155
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Ming-Yueh Tsay:
Bibliometric study of the application of computers in synthetic organic, physical, inorganic, and analytical chemistry literature abstracted by Chemical Abstracts in 1986. 156-158
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Stephen R. Heller, Karen Scott, Douglas W. Bigwood:
The need for data evaluation of physical and chemical properties of pesticides: the ARS pesticide properties database. 159-162
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Vellarkad N. Viswanadhan, Arup K. Ghose, Ganapathi R. Revankar, Roland K. Robins:
Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nucleoside antibiotics. 163-172
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Geoffrey M. Downs, Valerie J. Gillet, John D. Holliday, Michael F. Lynch:
Review of ring perception algorithms for chemical graphs. 172-187
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Geoffrey M. Downs, Valerie J. Gillet, John D. Holliday, Michael F. Lynch:
Theoretical aspects of ring perception and development of the extended set of smallest rings concept. 187-206
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Geoffrey M. Downs, Valerie J. Gillet, John D. Holliday, Michael F. Lynch:
Computer storage and retrieval of generic chemical structures in patents. 9. An algorithm to find the extended set of smallest rings in structurally explicit generics. 207-214
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Geoffrey M. Downs, Valerie J. Gillet, John D. Holliday, Michael F. Lynch:
Computer storage and retrieval of generic chemical structures in patents. 10. Assignment and logical bubble-up of ring screens for structurally explicit generics. 215-224
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Frank R. Burden:
Molecular identification number for substructure searches. 225-227
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Harry P. Schultz:
Topological organic chemistry. 1. Graph theory and topological indices of alkanes. 227-228
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Loltan M. Nagy:
Computer Software Reviews-Aztec C Compiler for the Macintosh. 229-230
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J. David Chase:
TDS DIPPR: an efficient, helpful tool! 230-231
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Volume 29, Number 4, November 1989

Jurij Holinej, Howard Y. Ando, Julian W. Snow:
Resolving multiple overlapping calorimetric transitions by use of a microcomputer: studies on erythrocyte membranes. 233-236
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Sven J. Cyvin, Jon Brunvoll, Bjørg N. Cyvin:
Search for concealed non-Kekulean benzenoids and coronoids. 236-244
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Brett J. Stanley, David B. Marshall:
Application of microcomputer-based robust regression methods to nonlinear data analysis. 244-251
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Andrew Rusinko III, Robert P. Sheridan, Ramaswamy Nilakantan, Kevin S. Haraki, Norman Bauman, R. Venkataraghavan:
Using CONCORD to construct a large database of three-dimensional coordinates from connection tables. 251-255
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Robert P. Sheridan, Ramaswamy Nilakantan, Andrew Rusinko III, Norman Bauman, Kevin S. Haraki, R. Venkataraghavan:
3DSEARCH: a system for three-dimensional substructure searching. 255-260
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Jeffrey D. Spring, John T. Keys, Lorrin Garson:
Development and implementation of Peer Review Plus: a computer-based tracking system for editorial offices. 261-266
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I. D. Brown:
Using chemical bonds to analyze data retrieved from the inorganic crystal structure database. 266-271
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Reiner Luckenbach, Josef Sunkel:
Problem solving with the Beilstein handbook. 271-278
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Edward W. Badger, Claus Dieter Siems:
Host-enhanced chemical indexing in technical databases. 279-283
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Hari Gunasingham, Mun Leong Wong:
Graphics and natural language interface for a cybernetic analytical instrument. 283-287
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