Pharmacophore identification and bioactivity prediction for triaminotriazine derivatives by electron conformational-genetic algorithm QSAR method.

@article{Saripinar2010PharmacophoreIA,
  title={Pharmacophore identification and bioactivity prediction for triaminotriazine derivatives by electron conformational-genetic algorithm QSAR method.},
  author={Emin Saripinar and Nazmiye Geçen and Kader Şahin and Ersin Yanmaz},
  journal={European journal of medicinal chemistry},
  year={2010},
  volume={45 9},
  pages={4157-68}
}
The electron conformational-genetic algorithm (EC-GA) method has been employed as a 4D-QSAR approach to reveal the pharmacophore (Pha) and to predict anticancer activity in the N-morpholino triaminotriazine derivatives. The electron conformational matrices of congruity (ECMCs) identified by electronic and structural parameters are constructed from data of conformational analysis and electronic structure calculation of molecules. Comparing the matrices, electron conformational submatrix of… CONTINUE READING

Similar Papers

Loading similar papers…