Zusammenfassung
Computerprogramme zur Reaktionsvorhersage und Syntheseplanung in der organischen Chemie gewinnen immer mehr an Bedeutung1. Dabei ist die Vorhersage der chemischen Reaktivität der beteiligten Reaktionspartner eine zentrale Aufgabenstellung.
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Literaturstellen
A New Treatment of Chemical Reactivity: Development of EROS, an Expert System for Reaction Prediction and Synthesis Design J. Gasteiger, M. G. Hutchings, B. Christoph, L. Gann, C. Hiller, P. Löw, M. Marsili, H. Saller, K. Yuki, Topics in Current Chemistry, Vol. 137, 19–73 (1987)
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© 1989 Springer-Verlag Berlin Heidelberg
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Witzenbichler, W., Gasteiger, J. (1989). Reaktivitätsvorhersage BEI Gasphaseneliminierungen. In: Gauglitz, G. (eds) Software-Entwicklung in der Chemie 3. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-74373-3_32
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DOI: https://doi.org/10.1007/978-3-642-74373-3_32
Publisher Name: Springer, Berlin, Heidelberg
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