Objective: To establish a quantitative structure-activity relationship (QSAR) model with higher prediction precision, and to provide theoretical data for the design of highly effective cephalosporin antibiotics. Methods: Based on support vector regression (SVR) and k-nearest neighbor (KNN), a nonlinear combinatorial prediction approach, named SVR-KNN, was developed and applied to the QSAR on the antibacterial bioactivities of 48 cephalosporin compounds against Haemophilus influenzae. The approach consists of 6 steps. Firstly, search for...