Prediction of photolysis half‐lives of dihydroindolizines by genetic algorithm‐multiple linear regression (GA‐MLR)

@inproceedings{Beiknejad2016PredictionOP,
  title={Prediction of photolysis half‐lives of dihydroindolizines by genetic algorithm‐multiple linear regression (GA‐MLR)},
  author={Davoud Beiknejad and Mohammad Javad Chaichi and Mohammad Hossein Fatemi},
  year={2016}
}
Quantitative structure–property relationship study was carried out for the prediction of photolysis half-lives of dihydroindolizines. Genetic algorithm variable selection was used in the multiple linear regression modeling. Four descriptors including topological (AAC), 2D-Autocorrelations (GATS7m), 3D-MoRSE (Mor19p), and GETAWAY (HATS3p) descriptors were selected by the algorithm, revealing that a hybrid of topologic, geometric, and electronic features of the molecule affects photolysis half… CONTINUE READING