Abstract: Three dimensional (3D) geological modeling and optimization of prospecting targeting constitute the hotspot and difficulty in the current international geosciences research. In this paper, 3D visualization technology and mathematical modeling method were utilized through independent research and development of GeoCube software for mineral resources prediction and evaluation, and the molybdenum targeting based on 3D geological information quantitative extraction and integration was realized. On such a basis, the integrated comparison was carried out by a variety of mathematical modeling methods and the uncertainty analysis of grid cell division. The weight of evidence has the characteristics of steady 3D integrated analysis, and the prediction of the targets in the 3D environment can realize deep prospecting positioning and provide a scientific basis for quantitative research. The research results presented in this paper can be used for deep ore-forming quantitative prediction technological research in old mines of China.