INFORMATION PROCESSING APPARATUS, INFORMATION PROCESSING METHOD, AND INFORMATION PROCESSING PROGRAM

    公开(公告)号:US20230335226A1

    公开(公告)日:2023-10-19

    申请号:US18340038

    申请日:2023-06-23

    CPC classification number: G16C20/30 G16C20/40

    Abstract: An information processing apparatus includes at least one processor. The processor receives input of partial structure data indicating a partial structure of a chemical substance and a condition regarding an index value indicating performance of the chemical substance; extracts, for each of a plurality of known chemical substances, a known chemical substance including an input partial structure which is a partial structure indicated by the partial structure data and satisfying the condition from a database in which structure data indicating a structure of the chemical substance is recorded; extracts a partial structure other than the input partial structure, which is included in a structure of the extracted known chemical substance as a co-occurrence partial structure; and displays the extracted co-occurrence partial structure.

    INFORMATION PROCESSING APPARATUS, INFORMATION PROCESSING METHOD, AND INFORMATION PROCESSING PROGRAM

    公开(公告)号:US20230326560A1

    公开(公告)日:2023-10-12

    申请号:US18334389

    申请日:2023-06-14

    CPC classification number: G16C20/40 G16C20/80

    Abstract: An information processing apparatus performs a first search for searching structure data indicating a structure of a chemical substance, which is a processing target, for a partial structure included in partial structure data in which the partial structure of the chemical substance and an index value indicating performance or a structure of the partial structure are associated with each other, performs a second search for searching past data for a chemical substance including the partial structure extracted by the first search, derives a reliability degree of the index value of the partial structure based on a total number of the chemical substances extracted by the second search and an index value corresponding to the chemical substance, and performs control of displaying the partial structure extracted by the first search and the reliability degree of the partial structure on a display device.

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