Prediction of P-Glycoprotein Substrates by a Support Vector Machine Approach

  title={Prediction of P-Glycoprotein Substrates by a Support Vector Machine Approach},
  author={Ying Xue and Chun Wei Yap and Li Zhi Sun and Zhi-Wei Cao and J. F. Wang and Yu Zong Chen},
  journal={Journal of chemical information and computer sciences},
  volume={44 4},
P-glycoproteins (P-gp) actively transport a wide variety of chemicals out of cells and function as drug efflux pumps that mediate multidrug resistance and limit the efficacy of many drugs. Methods for facilitating early elimination of potential P-gp substrates are useful for facilitating new drug discovery. A computational ensemble pharmacophore model has recently been used for the prediction of P-gp substrates with a promising accuracy of 63%. It is desirable to extend the prediction range… CONTINUE READING
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Evaluation of a method for improving the computation speed of molecular descriptors for drug property analysis

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  • Acta Pharmacol . Sin .
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