Comparison of two methods forecasting binding rate of plasma protein

Comput Math Methods Med. 2014:2014:957154. doi: 10.1155/2014/957154. Epub 2014 Aug 4.

Abstract

By introducing the descriptors calculated from the molecular structure, the binding rates of plasma protein (BRPP) with seventy diverse drugs are modeled by a quantitative structure-activity relationship (QSAR) technique. Two algorithms, heuristic algorithm (HA) and support vector machine (SVM), are used to establish linear and nonlinear models to forecast BRPP. Empirical analysis shows that there are good performances for HA and SVM with cross-validation correlation coefficients Rcv(2) of 0.80 and 0.83. Comparing HA with SVM, it was found that SVM has more stability and more robustness to forecast BRPP.

Publication types

  • Comparative Study

MeSH terms

  • Blood Proteins / metabolism*
  • Humans
  • Linear Models
  • Models, Theoretical*
  • Pharmaceutical Preparations / metabolism*
  • Protein Binding / physiology
  • Quantitative Structure-Activity Relationship
  • Support Vector Machine

Substances

  • Blood Proteins
  • Pharmaceutical Preparations