The purpose of the present paper is to establish a method of the fingerprint of LiuWei DiHuang pills by the near infrared spectroscopy. First, the authors established the fingerprint of LiuWei DiHuang pills by high performance capillary electrophoresis (HPCE), and calculated its similarity. At the same time, the authors scanned its near infrared spectrogram. Then the authors established the mathematical model between the similarity of fingerprint and the near infrared spectrogram. Through the optimization of the model, the correlation(r), calibration standard deviation and the average relative error of the modeling set were 0.904 6, 0.058 and 6.12%, respectively. It proved that the linearity between calculated and forecast of fingerprint was clear. The results showed that the method of the fingerprint of LiuWei DiHuang pills by the near infrared spectroscopy was feasible.