The active principle and medical mechanism study with the core of pharmacodynamics action is the focal problem to Chinese Medicine modernization,and the deficiency of cross study among chemistry of Chinese Medicine, pharmacology and molecular biology influences its resolution. Based on our former study, from the aspects of academic innovation and scientific research practice, a new Triple Research Mode “Exposure-Response-Mechanism” is proposed. Its academic background, scientific concept and research content are discussed, and we hope to provide a new academic thinking to the study of Chinese medicine pharmacological and/or toxicological materials and mechanisms, so as to supply the innovative methods to modernization of Chinese medicine.