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公开(公告)号：EP4145453A1
公开(公告)日：2023-03-08
申请号：EP21796144.0
申请日：2021-04-09
申请人： Hitachi, Ltd.
摘要： A structure model includes a first encoder that converts a compound structure representation to a real number vector and a first decoder that estimates the compound structure representation from the real number vector resulting from the conversion by the first encoder. A structure-property relationship model includes a second encoder that converts, to a real number vector, an extended vector including, as components, the real number vector generated by the first encoder and a target value vector including target values of one or more physical property values and a second decoder that estimates the extended vector from the real number vector generated by the second encoder.
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公开(公告)号：EP4145452A1
公开(公告)日：2023-03-08
申请号：EP21795631.7
申请日：2021-04-09
申请人： Hitachi, Ltd.
发明人： ASAHARA, Akinori , MORITA, Hidekazu , HAYASHI ,Takayuki , KANAZAWA ,Takuya , OSAKABE, Yoshihiro
IPC分类号： G16C20/40
摘要： A system for determining a material to propose to a user is disclosed. The system calculates an availability evaluation value indicating availability for a user of each of materials based on a chemical formula of each of the materials. The system estimates a physical property value of each of the materials based on a chemical formula of each of the materials. The system calculates a physical property evaluation value of each of the materials based on an estimation result of the physical property value of each of the materials. The system calculates an overlooking risk evaluation value indicating priority of presenting each of the materials to the user based on the availability evaluation value and the physical property evaluation value of each of the materials. The system selects a material to present as a candidate material from the materials according to the overlooking risk evaluation value.
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