Document Type and Number:
Japanese Patent JPWO2022149395
Kind Code:
A1
Abstract:
An information processing apparatus includes at least one processor. The processor receives input of structure data indicating a structure of a chemical substance and an evaluation function for evaluating specific performance of the chemical substance; extracts a known chemical substance having the same basic structure as a basic structure of an input structure indicated by the input structure data from a database in which structure data indicating a structure of a chemical substance is recorded for each of a plurality of known chemical substances; generates a novel structure in which the input structure is modified based on the structure of the extracted known chemical substance or a novel structure in which the structure of the extracted known chemical substance is modified; derives an index value related to the specific performance for the generated novel structure; derives an evaluation value of the novel structure based on the derived index value and the evaluation function; and displays the novel structure according to the evaluation value.
Application Number:
JP2022573954A
Publication Date:
July 14, 2022
Filing Date:
December 07, 2021
Export Citation:
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