The article considers the method for making up a set of predictive models for design innovative solutions forming and selection in the area of the high-tech production tools configuration. The model set structuring is represented by a system of multilayer graph models combining input information forming; generation of new product properties; idea synthesis and analysis; configuration of forming operation tooling; forming of a set of technical, economic, and manufacturing criteria. The set of possible shaping systems is a function of the set of traversal routes, which in their turn are generated by consecutive inter-layer transitions from input edges to edges describing the optimal tooling configurations by means of targeted structural and parametric synthesis. The authors developed the mathematical model for forming a set of configurations for the production operation tooling. The problem of the optimum innovative solution selection is solved by means of the Boolean algorithm for linear programming. The research practical tests were performed by means of the technological synthesis problem solution for the multiaxial laser cutting machine.