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ORCIDJournal 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 - 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 - 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 - Randolph C. Wilhoit, Kenneth N. Marsh:
Automation of numerical data compilations. 17-22 - Shinsaku Fujita:
Formulation of isomeric reaction types and systematic enumeration of six-electron pericyclic reactions. 22-30 - Peiming Wang, David B. Neumann:
A database and retrieval system for the NBS tables of chemical thermodynamic properties. 31-38 - Joseph Hilsenrath:
Xerox Desktop Publishing Series-Ventura Publisher Edition (Version 1.1). 39-40 - Clemens Jochum:
Pagemaker. 40-42 - Yecheskel Wolman:
STN Express. 42-43
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 - Joseph L. Armstrong, D. Brynn Hibbert:
Representation and matching of chemical structures by a Prolog program. 51-60 - Xianmin Zheng:
PAD programming and its application in chemistry. 60-66 - Louis Hodes:
Clustering a large number of compounds. 1. Establishing the method on an initial sample. 66-71 - Robert E. Buntrock:
Documentation and indexing of C4 compounds: pathways and pitfalls. 72-78 - 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 - Danail Bonchev, Ovanes G. Mekenyan, Alexandru T. Balaban:
Iterative procedure for the generalized graph center in polycyclic graphs. 91-97 - David Weininger, Arthur Weininger, Joseph L. Weininger:
SMILES. 2. Algorithm for generation of unique SMILES notation. 97-101 - 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 - 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 - 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 - Gordon H. Wood, John R. Rodgers, S. Roger Gough:
Canadian Scientific Numeric Database Service. 118-123
Volume 29, Number 3, August 1989
- James B. Hendrickson, A. Glenn Toczko:
SYNGEN program for synthesis design: basic computing techniques. 137-145 - James B. Hendrickson, Ping Huang:
Multiple constructions in synthesis design. 145-151 - Scott Davidson:
An improved IUPAC-based method for identifying alkanes. 151-155 - 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 - 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 - 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 - Geoffrey M. Downs, Valerie J. Gillet, John D. Holliday, Michael F. Lynch:
Review of ring perception algorithms for chemical graphs. 172-187 - 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 - 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 - 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 - Frank R. Burden:
Molecular identification number for substructure searches. 225-227 - Harry P. Schultz:
Topological organic chemistry. 1. Graph theory and topological indices of alkanes. 227-228 - Loltan M. Nagy:
Computer Software Reviews-Aztec C Compiler for the Macintosh. 229-230 - J. David Chase:
TDS DIPPR: an efficient, helpful tool! 230-231
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 - Sven J. Cyvin, Jon Brunvoll, Bjørg N. Cyvin:
Search for concealed non-Kekulean benzenoids and coronoids. 236-244 - Brett J. Stanley, David B. Marshall:
Application of microcomputer-based robust regression methods to nonlinear data analysis. 244-251 - 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 - 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 - 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 - I. D. Brown:
Using chemical bonds to analyze data retrieved from the inorganic crystal structure database. 266-271 - Reiner Luckenbach, Josef Sunkel:
Problem solving with the Beilstein handbook. 271-278 - Edward W. Badger, Claus Dieter Siems:
Host-enhanced chemical indexing in technical databases. 279-283 - Hari Gunasingham, Mun Leong Wong:
Graphics and natural language interface for a cybernetic analytical instrument. 283-287
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