Designing molecules with specific properties from intercommunicating hybrid systems

Journal of Chemical Information and Computer Sciences
J Devillers

Abstract

The concept that computers can be creative in designing new molecules is now being actively explored. Our work has been aimed at developing an intercommunicating hybrid system using a genetic algorithm and a backpropagation neural network model for solving the general problem of designing molecules with specific properties. A case study dealing with biodegradation modeling is presented. The usefulness of the intercommunicating hybrid systems in QSAR and drug design is emphasized.

References

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Citations

Nov 27, 1998·Progress in Biophysics and Molecular Biology·G Schneider, P Wrede
Jan 24, 2012·Journal of Experimental Botany·Roman ZweifelFrank J Sterck
Nov 13, 2010·IEEE/ACM Transactions on Computational Biology and Bioinformatics·Răzvan AndonieLukas C Magill
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Oct 24, 2007·Environmental Monitoring and Assessment·R A Díaz VarelaC Muñoz Sobrino
May 25, 2004·Journal of Chemical Information and Computer Sciences·Nathan BrownJohann Gasteiger

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