Classification of organic reactions: Similarity of reactions based on changes in the electronic features of oxygen atoms at the reaction sites

Journal of Chemical Information and Computer Sciences

Volumn 38, Issue 2, 1998, Pages 210-219

  Satoh, Hiroko ^a   Sacher, Oliver ^b   Nakata, Tadashi ^a   Chen, Lingran ^b,d   Gasteiger, Johann ^b   Funatsu, Kimito ^c  

^a INST OF PHYS AND CHEMICAL RESEARCH   (Japan)

^b UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

^c TOYOHASHI UNIVERSITY OF TECHNOLOGY   (Japan)

^d MDL Information Systems Inc   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000692765     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci9701190     Document Type: Article

References (14)

1. An original work of this was presented at the Fourth International Conference on Chemical Structures; Noordwijkerhout, June 1996. See: Satoh, H.; Kimura, T.; Funatsu, K. In proceedings of the Fourth International Conference on Chemical Structures; Noordwijkerhout, June 1996; p 25.
2. Chen, L.; Gasteiger, J. Angew. Chem. 1996, 708, 844, Angew. Chem., Int. Ed. Engl. 1996, 35, 763.
3. Chen, L.; Gasteiger, J. Angew. Chem. 1996, 708, 844, Angew. Chem., Int. Ed. Engl. 1996, 35, 763.
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5. Funatsu, K.; Sasaki, S. Tetrahedron Comput. Method. 1988, 1, 27.
6. Distributed Chemical Graphics, Inc. permitted us to use SYNLIB for our research works.
7. Gasteiger, J.; Marsili, M. Tetrahedron 1980, 36, 3219.
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9. Sailer, H.; Gasteiger, J. Angew. Chem. 1985, 97, 699, Angew. Chem., Int. Ed. Engl. 1985, 24, 687.
10. Gasteiger, J.; Mulchings, M. G. J. Chem. Soc., Perkin Trans. 2 1984, 559.
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13. Zupan, J.; Gasteiger, J. Neural Networks for Chemists. An Introduction; VCH: Weinheim, 1993.
14. SOM_PAK, the Self-Organizing Map Program Package was prepared by the SOM Programming team of the Helsinki University of Technology, Laboratory of Computer and Information Science, Pakentajanaukio 2 C, SF-02150 Espoo, Finland. This is available via Internet (cochlea.hut.fi or 130.233.168.48) by anonymous FTP connection.