Bi- and multilinear PLS coupled to MIA-QSAR in the prediction of antifungal activities of some benzothiazole derivatives.

@article{Bitencourt2009BiAM,
  title={Bi- and multilinear PLS coupled to MIA-QSAR in the prediction of antifungal activities of some benzothiazole derivatives.},
  author={Michelle Bitencourt and Matheus P. Freitas},
  journal={Medicinal chemistry (Shariqah (United Arab Emirates))},
  year={2009},
  volume={5 1},
  pages={79-86}
}
The activities of a series of benzothiazole derivatives, some Candida albicans N-myristoyltransferase (Nmt) inhibitors, were modeled through MIA-QSAR (multivariate image analysis applied to quantitative structure-activity relationship) by using two different regression methods: N-PLS, applied to the three-way array, and PLS, applied to the unfolded array. Both models demonstrated excellent predictive ability, with results comparable to those obtained through 3D approaches. In order to compare… CONTINUE READING