The Beppe project represents a modeling experiment that aims at contributing a better management of the prediction of reaction products. From this perspective, a completely theoretical system has been initially studied, independent of the result control given by experimental data. The connected program realized until now can evaluate the different aspects of the molecular reactivity; consequently, it can generate some of the reaction products starting from a molecular ensemble and give a set of numerical rules to estimate both the result reliability and the possibility to get different results using different experimental procedures.

Reaction prediction: the suggestions of the Beppe program / G. Sello. - In: JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES. - ISSN 0095-2338. - 32:6(1992), pp. 713-717. [10.1021/ci00010a019]

Reaction prediction: the suggestions of the Beppe program

G. Sello
Primo
1992

Abstract

The Beppe project represents a modeling experiment that aims at contributing a better management of the prediction of reaction products. From this perspective, a completely theoretical system has been initially studied, independent of the result control given by experimental data. The connected program realized until now can evaluate the different aspects of the molecular reactivity; consequently, it can generate some of the reaction products starting from a molecular ensemble and give a set of numerical rules to estimate both the result reliability and the possibility to get different results using different experimental procedures.
Settore CHIM/06 - Chimica Organica
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/2434/192002
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