Classification of Organic Reactions: Similarity of Reactions Based on Changes in the Electronic Features of Oxygen Atoms at the Reaction Sites
- 28 February 1998
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of Chemical Information and Computer Sciences
- Vol. 38 (2) , 210-219
- https://doi.org/10.1021/ci9701190
Abstract
No abstract availableKeywords
This publication has 8 references indexed in Scilit:
- Knowledge Discovery in Reaction Databases: Landscaping Organic Reactions by a Self-Organizing Neural NetworkJournal of the American Chemical Society, 1997
- Organische Reaktionen mit Hilfe neuronaler Netze klassifiziert: Michael‐Additionen, Friedel‐Crafts‐Alkylierungen durch Alkene und verwandte ReaktionenAngewandte Chemie, 1996
- Computer-assisted organic synthesis design and reaction prediction system, “AIPHOS”Tetrahedron Computer Methodology, 1988
- Computer-assisted mechanistic evaluation of organic reactions. 12. pKa predictions for organic compounds in Me2SOThe Journal of Organic Chemistry, 1986
- Berechnung der Ladungsverteilung in konjugierten Systemen durch eine Quantifizierung des MesomeriekonzeptesAngewandte Chemie, 1985
- Quantification of effective polarisability. Applications to studies of X-ray photoelectron spectroscopy and alkylamine protonationJournal of the Chemical Society, Perkin Transactions 2, 1984
- Self-organized formation of topologically correct feature mapsBiological Cybernetics, 1982
- Iterative partial equalization of orbital electronegativity—a rapid access to atomic chargesTetrahedron, 1980