Application of artificial neural network to predict the retention time of drug metabolites in two-dimensional liquid chromatography.

@article{Noorizadeh2013ApplicationOA,
  title={Application of artificial neural network to predict the retention time of drug metabolites in two-dimensional liquid chromatography.},
  author={Hadi Noorizadeh and Soheil Sobhan-Ardakani and F Raoofi and Mehrab Noorizadeh and S. S. Mortazavi and Mohammad Taghi Ahmadi and K Pournajafi},
  journal={Drug testing and analysis},
  year={2013},
  volume={5 5},
  pages={
          315-9
        }
}
Genetic algorithm and partial least square (GA-PLS) and Levenberg-Marquardt artificial neural network (L-M ANN) techniques were used to investigate the correlation between retention time and descriptors for drug metabolites which obtained by two-dimensional liquid chromatography. The applied internal (leave-group-out cross validation (LGO-CV)) and external (test set) validation methods were used for the predictive power of four models. Both methods resulted in accurate prediction whereas more… CONTINUE READING
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