QSAR modeling for quinoxaline derivatives using genetic algorithm and simulated annealing based feature selection.

@article{Ghosh2009QSARMF,
  title={QSAR modeling for quinoxaline derivatives using genetic algorithm and simulated annealing based feature selection.},
  author={Payel Ghosh and Manish C. Bagchi},
  journal={Current medicinal chemistry},
  year={2009},
  volume={16 30},
  pages={
          4032-48
        }
}
With a view to the rational design of selective quinoxaline derivatives, 2D and 3D-QSAR models have been developed for the prediction of anti-tubercular activities. Successful implementation of a predictive QSAR model largely depends on the selection of a preferred set of molecular descriptors that can signify the chemico-biological interaction. Genetic algorithm (GA) and simulated annealing (SA) are applied as variable selection methods for model development. 2D-QSAR modeling using GA or SA… CONTINUE READING
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