Information Processing Device, Information Processing Method, And Information Processing Program

Abstract: This information processing device is equipped with at least one processor. Said processor performs processing which involves: receiving an input of structure data which expresses the structure of a chemical substance and an evaluation function for evaluating the specific performance of the chemical substance; extracting a known chemical substance, the basic structure of which is shared by the input structure represented by the inputted structure data, from a database for recording structure data which expresses said chemical substance structure for each of a plurality of known chemical substances; generating a novel structure by modifying the input structure on the basis of the extracted known chemical substance structure or modifying the extracted known chemical substance structure; deriving an indicator value pertaining to specific performance for the generated novel structure; deriving an evaluation value for the novel structure on the basis of the derived indicator value and the evaluation function; and displaying the novel structure according to the evaluation value.

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