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Implementation of similarity model in the CSB system for chemical reaction predictions
1Department of Computer Chemistry, Rzeszów University of Technology, Poland. gfic@msk.rz.pl
Computers & Chemistry
|February 24, 2001
Abstract:
A new algorithm for predicting the course of chemical reactions, implemented in the CSB system is presented. It allows to use of four various models for reaction generation, that lead to create different solution space according to the needs of the user. Depending on the chosen model one can expect solutions featuring great completeness or great reliability.