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REACTION PATH SEARCHING METHOD, REACTION PATH SEARCHING DEVICE, AND STORAGE MEDIUM FOR REACTION PATH SEARCHING

机译:反应路径搜索方法,反应路径搜索设备以及用于反应路径搜索的存储介质

摘要

A searching method which finds the shortest reaction path between the starting compound and the final compound by using an information processor which has a storage means in which compound information and reaction path information including reaction direction information between compounds, an input means, and an output means. The searching method comprises input steps (101 and 102) in which the data on the starting compound and the data on the final compound are received by the input means, a reading step (103) in which the reaction path information is read out of the storage means based on the data received, extraction steps (104-108) in which the shortest reaction path from the starting compound to the final compound is extracted in accordance with the reaction path information read out and an output step (109) in which the shortest reaction path extracted is outputted from the output means.
机译:一种通过使用信息处理器来查找起始化合物和最终化合物之间最短反应路径的搜索方法,该信息处理器具有存储装置,其中化合物的信息和包括化合物之间的反应方向信息的反应路径信息,输入装置和输出装置。该搜索方法包括输入步骤(101和102),其中通过输入装置接收有关起始化合物的数据和有关最终化合物的数据;以及读取步骤(103),其中从反应混合物中读出反应路径信息。基于接收到的数据的存储装置,提取步骤(104-108),其中根据读出的反应路径信息提取从起始化合物到最终化合物的最短反应路径,以及输出步骤(109),其中从输出装置输出所提取的最短反应路径。

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