SYNTHESIS PATH EVALUATION SYSTEM AND METHOD AND PROGRAM THEREOF

摘要

Provided is a synthesis path evaluation system which can automatically rank, narrow down, and propose a synthesis path from among a plurality of synthesis paths given for a target compound to be synthesized. In order to extract the optimum synthesis path from the plurality of synthesis paths for the target compound for synthesis, a synthesis path evaluation system (1) comprises a computational processing means (3) composed of a quantum chemistry calculation unit (7), a reaction mechanism analysis unit (8), and a synthesis path ranking unit (11); and a memory means (4) which stores data (15) relating to the synthesis paths(hereinafter referred to as synthesis path data).