Inverse synthesis system and method

A synthesis protocol for a reaction path of a target molecule may be determined by: providing target compound data; performing chemical synthesis search on at least one reaction path of the target compound; processing the target compound data by a single step reaction enumeration algorithm to obtain at least one reaction step of the at least one reaction path; processing at least one reaction step using the at least one reaction path scoring mechanism model to obtain a reaction step score; constructing a reaction path based on the at least one reaction step and the at least one reaction step fraction; providing a selective filter with selectivity criteria; filtering the reaction path such that reactions that violate the selectivity criteria are filtered out; ranking the reaction paths; and providing the reaction path ranking. 靶分子的反应路径的合成协议可以通过以下来确定：提供靶化合物数据；对于所述靶化合物的至少一个反应路径，进行化学合成搜索；通过单步反应枚举算法来处理所述靶化合物数据，以获得所述至少一个反应路径的至少一个反应步骤；利用所述至少一个反应路径评分机制模型来处理至少一个反应步骤，以获得反应步骤分数；基于至少一个反应步骤和至少一个反应步骤分数来构建反应路径；提供具有选择性标准的选择性