Application of a self-organizing map to quantitative structure-activity relationship analysis of carboquinone and benzodiazepine.

@article{Kawakami2004ApplicationOA,
  title={Application of a self-organizing map to quantitative structure-activity relationship analysis of carboquinone and benzodiazepine.},
  author={Junko Kawakami and Kenji Hoshi and Akiko Ishiyama and Sayaka Miyagishima and Kenichi Sato},
  journal={Chemical & pharmaceutical bulletin},
  year={2004},
  volume={52 6},
  pages={751-5}
}
Self-organizing map (SOM) of Kohonen seems to be a promising approach beyond the standard one to regression for some classification problems encountered in the field of pharmacy. We apply them, therefore, to the quantitative structure-activity relationship (QSAR) in carboquinones and benzodiazepines, and show their usefulness. Most QSAR analysis using neural networks has been made by adopting neural networks with supervised learning. On the contrary, SOM obeys unsupervised learning and… CONTINUE READING