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ORCIDJournal of Chemical Information and Computer Sciences, Volume 27
Volume 27, Number 1, February 1987
- Gary Wiggins:
Chemical information science coverage in Chemical Abstracts. 1-3 - V. Zitko:
Computer as a versatile research assistant. 3-7 - H. N. Cheng:
Computerized model fitting approach for the NMR analysis of polymers. 8-13 - Jon Brunvoll, Bjørg N. Cyvin, Sven J. Cyvin:
Enumeration and classification of coronoid hydrocarbons. 14-21 - Arup K. Ghose, Gordon M. Crippen:
Atomic physicochemical parameters for three-dimensional-structure-directed quantitative structure-activity relationships. 2. Modeling dispersive and hydrophobic interactions. 21-35 - Daniel P. Dolata, Robert E. Carter:
WIZARD: applications of expert system techniques to conformational analysis. 1. The basic algorithms exemplified on simple hydrocarbons. 36-47 - John C. Marshall:
Software review: CHEMBASE. 47-49
Volume 27, Number 2, May 1987
- Ronald L. Wigington:
Evolution of information technology and its impacts on chemical information. 51-55 - Dale B. Baker:
Chemical information flow across international borders: problems and solutions. 55-59 - Hideaki Chihara:
Factors involved in Japan's contribution to international chemical information activities: present status and prospects. 59-62 - James B. Hendrickson, Ping Huang, A. Glenn Toczko:
Molecular complexity: a simplified formula adapted to individual atoms. 63-67 - Seymour B. Elk:
An algorithm to identify and count coplanar isomeric molecules formed by the linear fusion of cyclopentane modules. 67-69 - Seymour B. Elk:
Topological considerations subtly inherent in the formulation and subdivision of fused vs. bridged ring compounds. 70-73 - Jacques-Emile Dubois, Annick Panaye, Roger Attias:
DARC system: notions of defined and generic substructures. Filiation and coding of FREL substructure (SS) classes. 74-82 - Ramaswamy Nilakantan, Norman Bauman, J. Scott Dixon, R. Venkataraghavan:
Topological torsion: a new molecular descriptor for SAR applications. Comparison with other descriptors. 82-85 - Yong Chien Ling, Mark T. Bernius, George H. Morrison:
SIMIPS: secondary ion mass image processing system. 86-94
Volume 27, Number 3, August 1987
- Hendrik J. Luinge, Gerard J. Kleywegt
, Henk A. Van't Klooster, John H. Van der Maas:
Artificial intelligence used for the interpretation of combined spectral data. 3. Automated generation of interpretation rules for infrared spectral data. 95-99 - Shinsaku Fujita:
Description of organic reactions based on imaginary transition structures. 6. Classification and enumeration of two-string reactions with one common node. 99-104 - Shinsaku Fujita:
Description of organic reactions based on imaginary transition structures. 7. Classification and enumeration of two-string reactions with two or more common nodes. 104-110 - Shinsaku Fujita:
Description of organic reactions based on imaginary transition structures. 8. Synthesis space attached by a charge space and three-dimensional imaginary transition structures with charges. 111-115 - Shinsaku Fujita:
Description of organic reactions based on imaginary transition structures. 9. Single-access perception of rearrangement reactions. 115-120 - Shinsaku Fujita:
Structure-reaction type paradigm in the conventional methods of describing organic reactions and the concept of imaginary transition structures overcoming this paradigm. 120-126 - Valerie J. Gillet, Geoffrey M. Downs, Ai Ling, Michael F. Lynch, Pallapa Venkataram, Jennifer V. Wood, Winfried Dethlefsen:
Computer storage and retrieval of generic chemical structures in patents. 8. Reduced chemical graphs and their applications in generic chemical structure retrieval. 126-137 - W. A. Schlieper, Thomas L. Isenhour, John C. Marshall:
ARTS: a flexible laboratory instrument control language. 137-143
Volume 27, Number 4, November 1987
- Carlos M. Bowman, John A. Nosal, Anne E. Rogers:
Effect of new technology on information transfer in the 1990's. 147-151 - Andrew T. Brint, Peter Willett:
Algorithms for the identification of three-dimensional maximal common substructures. 152-158 - Clara Martinez, John Lucey, Elliott Linder:
Expert system for machine-aided indexing. 158-162 - M. Leonor Contreras, Mauricio Deliz, Roberto Rozas:
Personal microcomputer based system of chemical information with topological structure data elaboration. 163-167 - Salem Jagannathan, Frank D. Blum, Carl F. Polnaszek:
Computer simulation of deuterium NMR lineshapes. 167-170 - Jon Brunvoll, Bjørg N. Cyvin, Sven J. Cyvin:
Enumeration and classification of benzenoid hydrocarbons. 2. Symmetry and regular hexagonal benzenoids. 171-177 - Soichi Tokizane, Tsukasa Monjoh, Hideaki Chihara:
Computer storage and retrieval of generic chemical structures using structure attributes. 177-187
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