JP7764069B2 - 物性予測装置、物性予測方法、及びプログラム - Google Patents

物性予測装置、物性予測方法、及びプログラム

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Publication number
JP7764069B2
JP7764069B2 JP2024521930A JP2024521930A JP7764069B2 JP 7764069 B2 JP7764069 B2 JP 7764069B2 JP 2024521930 A JP2024521930 A JP 2024521930A JP 2024521930 A JP2024521930 A JP 2024521930A JP 7764069 B2 JP7764069 B2 JP 7764069B2
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information
physical property
learning model
machine learning
generating
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Japanese (ja)
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JPWO2023224012A5 (https=
JPWO2023224012A1 (https=
Inventor
駿 室賀
賢治 畠
康彰 三木
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National Institute of Advanced Industrial Science and Technology AIST
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National Institute of Advanced Industrial Science and Technology AIST
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    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/30Prediction of properties of chemical compounds, compositions or mixtures
    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C60/00Computational materials science, i.e. ICT specially adapted for investigating the physical or chemical properties of materials or phenomena associated with their design, synthesis, processing, characterisation or utilisation

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  • Engineering & Computer Science (AREA)
  • Computing Systems (AREA)
  • Theoretical Computer Science (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Chemical & Material Sciences (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Management, Administration, Business Operations System, And Electronic Commerce (AREA)
JP2024521930A 2022-05-18 2023-05-15 物性予測装置、物性予測方法、及びプログラム Active JP7764069B2 (ja)

Applications Claiming Priority (3)

Application Number Priority Date Filing Date Title
JP2022081299 2022-05-18
JP2022081299 2022-05-18
PCT/JP2023/018162 WO2023224012A1 (ja) 2022-05-18 2023-05-15 物性予測装置、物性予測方法、及びプログラム

Publications (3)

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JPWO2023224012A1 JPWO2023224012A1 (https=) 2023-11-23
JPWO2023224012A5 JPWO2023224012A5 (https=) 2024-12-24
JP7764069B2 true JP7764069B2 (ja) 2025-11-05

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JP (1) JP7764069B2 (https=)
WO (1) WO2023224012A1 (https=)

Families Citing this family (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
CN118072857B (zh) * 2024-04-17 2024-07-16 季华实验室 新配方生成方法、装置、电子设备及存储介质

Citations (3)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
WO2019048965A1 (ja) 2017-09-06 2019-03-14 株式会社半導体エネルギー研究所 物性予測方法および物性予測システム
JP2020187417A (ja) 2019-05-10 2020-11-19 株式会社日立製作所 物性予測装置及び物性予測方法
WO2021095722A1 (ja) 2019-11-11 2021-05-20 昭和電工マテリアルズ株式会社 情報処理システム、情報処理方法、および情報処理プログラム

Family Cites Families (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP7732224B2 (ja) * 2021-04-23 2025-09-02 株式会社レゾナック 特性予測システム、特性予測方法、及び特性予測プログラム
CN114141317B (zh) * 2021-12-07 2025-12-16 北京百度网讯科技有限公司 化合物性质预测模型训练方法、装置、设备以及存储介质

Patent Citations (3)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
WO2019048965A1 (ja) 2017-09-06 2019-03-14 株式会社半導体エネルギー研究所 物性予測方法および物性予測システム
JP2020187417A (ja) 2019-05-10 2020-11-19 株式会社日立製作所 物性予測装置及び物性予測方法
WO2021095722A1 (ja) 2019-11-11 2021-05-20 昭和電工マテリアルズ株式会社 情報処理システム、情報処理方法、および情報処理プログラム

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WO2023224012A1 (ja) 2023-11-23
JPWO2023224012A1 (https=) 2023-11-23

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