Prediction of K562 Cells Functional Inhibitors Based on Machine Learning Approaches

Curr Pharm Des. 2019;25(40):4296-4302. doi: 10.2174/1381612825666191107092214.

Abstract

Background: β thalassemia is a common monogenic genetic disease that is very harmful to human health. The disease arises is due to the deletion of or defects in β-globin, which reduces synthesis of the β-globin chain, resulting in a relatively excess number of α-chains. The formation of inclusion bodies deposited on the cell membrane causes a decrease in the ability of red blood cells to deform and a group of hereditary haemolytic diseases caused by massive destruction in the spleen.

Methods: In this work, machine learning algorithms were employed to build a prediction model for inhibitors against K562 based on 117 inhibitors and 190 non-inhibitors.

Results: The overall accuracy (ACC) of a 10-fold cross-validation test and an independent set test using Adaboost were 83.1% and 78.0%, respectively, surpassing Bayes Net, Random Forest, Random Tree, C4.5, SVM, KNN and Bagging.

Conclusion: This study indicated that Adaboost could be applied to build a learning model in the prediction of inhibitors against K526 cells.

Keywords: Adaboost; feature selection; K526 cells; Machine learning; cross-validation test; independent set test..

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Algorithms*
  • Bayes Theorem
  • Humans
  • K562 Cells / drug effects*
  • Machine Learning*
  • Support Vector Machine
  • beta-Globins
  • beta-Thalassemia

Substances

  • beta-Globins