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IMI/Publicaţii/CSJM/Ediţii/CSJM v.1, n.3 (3), 1993/

Applied program system for the prognosis of the biological activity of chemical compounds: development and use

Authors: N. Shvets

Abstract

An applied program system for the biological activity investigation and new compounds with the activity needed creation is presented. Based on the electron-topological (ET-) method, it has a high predictive rate, about 95%, and proved to be especially appropriate for the fragrance activity prediction. Here the ET-method is described in short, the structure of the system in view is shown and an example of the concrete task, sandalwood smell investigation, solved using the system is given.

N. Shvets
Institute of Mathematics,
Academy of Sciences of Moldova,
5 Academiei str.,
Kishinev, 277028, Moldova



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