Physical property prediction device, physical property prediction method, and program

A physical property prediction device that predicts the physical properties of a compound comprises: a generation unit that generates a first-stage learning completion model by using first-stage synthesis information and synthesis result information as learning data; a generation unit that generates...

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Hauptverfasser: TAKEMOTO SHINPEI, OKUNO YOSHISHIGE, TSUNODA KOSUKE, MINAMI TAKUYA, GAO RENZI, AONUMA NAOTO
Format: Patent
Sprache:chi ; eng
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Zusammenfassung:A physical property prediction device that predicts the physical properties of a compound comprises: a generation unit that generates a first-stage learning completion model by using first-stage synthesis information and synthesis result information as learning data; a generation unit that generates a learning completion model from the second stage to the final stage by using the synthesis information of the nth stage (n > = 2), the synthesis result information of the nth stage, and the synthesis result information of the (n-1) th stage as learning data; a receiving unit that receives a setting of synthesis information of a compound that predicts physical properties; a prediction unit that predicts a physical property value of a product synthesized by the first-stage chemical reaction of the compound; a prediction unit that repeats a process for predicting the physical property value of a product synthesized by the chemical reaction in the nth stage of the compound from the chemical reaction in the second sta