title: Comparison of two methods forecasting binding rate of plasma protein.
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.
authors.affiliation: Changshu Institute of Technology, Changshu 215500, China.
authors.forename: Liu
authors.initials: L
authors.lastname: Hongjiu
authors.affiliation: Changshu Institute of Technology, Changshu 215500, China.
authors.forename: Hu
authors.initials: H
authors.lastname: Yanrong
mesh_terms: D001798:Blood Proteins / Q000378:metabolism*; D006801:Humans; D016014:Linear Models; D008962:Models, Theoretical; D004364:Pharmaceutical Preparations / Q000378:metabolism*; D011485:Protein Binding / Q000502:physiology; D021281:Quantitative Structure-Activity Relationship; D060388:Support Vector Machine
chemical_list: D001798:Blood Proteins; D004364:Pharmaceutical Preparations