The paper discussed the theory of systematical innovation of the science-technology value chain(STVC).And on the basis of interpreting its concept,the paper built up the structural and mathematical models in the whole process from the origins of science and technology innovations to the industrialization of research achievements.After the analysis of seven different types of structural nodes in STVC and their linking models,the six basic kinds of linking units were found to be the basic structural units constructing the complicate network systems of STVCs.The three key innovation cycles and their relations with the systematical innovation of STVCs were indicated.The various ways of linking the enterprise STVCs and multiple innovation subjects,national and regional innovation sysuems were discussed.