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The near-infrared spectroscopy (NIRs) of compound Danshen tablet was scanned and the active blood efficacy of each sample was investigated in mouse. The quantitative spectrum-efficacy relationship (QSER) between NIR and the active blood efficacy was constructed by genetic algorithm-multiple linear regression (GA-MLR). The statistic parameters of the proposed QSER model were R2 = 0.891, , and RMSETrain = 0.085 for the training set while r2 = 0.817 and RMSEEXT = 0.116 for the external test set. The results indicate that the proposed QSER model could be applied to predict the active blood efficacy of compound Danshen tablet from the related NIR spectra.