| 摘要 |
<p><P>PROBLEM TO BE SOLVED: To provide a synthesis path evaluation system for automatically ranking, narrowing down, and proposing a synthesis path from among a plurality of synthesis paths given for a target compound to be synthesized. <P>SOLUTION: This synthesis path evaluation system 1 is configured to extract an optimal synthesis path from among a plurality of synthesis paths with respect to target compounds to be synthesized, and provided with: 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 for storing data (hereinafter referred to as synthesis path data) 15 related with the synthesis paths. <P>COPYRIGHT: (C)2010,JPO&INPIT</p> |
