CN116783658A - 信息处理装置、信息处理方法及信息处理程序 - Google Patents

信息处理装置、信息处理方法及信息处理程序 Download PDF

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Publication number
CN116783658A
CN116783658A CN202180089273.6A CN202180089273A CN116783658A CN 116783658 A CN116783658 A CN 116783658A CN 202180089273 A CN202180089273 A CN 202180089273A CN 116783658 A CN116783658 A CN 116783658A
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China
Prior art keywords
partial structure
partial
chemical substance
extracted
information processing
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CN202180089273.6A
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English (en)
Chinese (zh)
Inventor
鑓水大和
疋田泰士
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Fujifilm Corp
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Fujifilm Corp
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Publication of CN116783658A publication Critical patent/CN116783658A/zh
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    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/30—Prediction of properties of chemical compounds, compositions or mixtures
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/40—Searching chemical structures or physicochemical data
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/50—Molecular design, e.g. of drugs

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  • Chemical & Material Sciences (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Engineering & Computer Science (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Computing Systems (AREA)
  • Theoretical Computer Science (AREA)
  • Information Retrieval, Db Structures And Fs Structures Therefor (AREA)
  • Management, Administration, Business Operations System, And Electronic Commerce (AREA)
  • Organic Low-Molecular-Weight Compounds And Preparation Thereof (AREA)
CN202180089273.6A 2021-01-07 2021-12-07 信息处理装置、信息处理方法及信息处理程序 Pending CN116783658A (zh)

Applications Claiming Priority (3)

Application Number Priority Date Filing Date Title
JP2021001610 2021-01-07
JP2021-001610 2021-01-07
PCT/JP2021/044992 WO2022149394A1 (ja) 2021-01-07 2021-12-07 情報処理装置、情報処理方法、及び情報処理プログラム

Publications (1)

Publication Number Publication Date
CN116783658A true CN116783658A (zh) 2023-09-19

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CN202180089273.6A Pending CN116783658A (zh) 2021-01-07 2021-12-07 信息处理装置、信息处理方法及信息处理程序

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US (1) US20230335226A1 (https=)
EP (1) EP4276839A4 (https=)
JP (1) JP7753259B2 (https=)
CN (1) CN116783658A (https=)
CA (1) CA3203719A1 (https=)
WO (1) WO2022149394A1 (https=)

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US12587274B2 (en) 2023-03-28 2026-03-24 Quantum Generative Materials Llc Satellite optimization management system based on natural language input and artificial intelligence
US12368503B2 (en) 2023-12-27 2025-07-22 Quantum Generative Materials Llc Intent-based satellite transmit management based on preexisting historical location and machine learning
US12603701B2 (en) 2023-12-27 2026-04-14 Quantum Generative Materials Llc Distributed satellite constellation management and control system

Citations (3)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP2019040422A (ja) * 2017-08-25 2019-03-14 国立研究開発法人産業技術総合研究所 化合物設計装置と化合物設計方法及び化合物設計プログラム
CN110728047A (zh) * 2019-10-08 2020-01-24 中国工程物理研究院化工材料研究所 一种基于机器学习性能预测含能分子计算机辅助设计系统
JP2020194488A (ja) * 2019-05-30 2020-12-03 富士通株式会社 材料特性予測装置、材料特性予測方法、及び材料特性予測プログラム

Family Cites Families (2)

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Publication number Priority date Publication date Assignee Title
JP2007277188A (ja) * 2006-04-10 2007-10-25 Hitachi Ltd 化合物検索支援システム
JP2021001610A (ja) 2019-06-19 2021-01-07 有限会社アールストーン 配管支持具

Patent Citations (3)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP2019040422A (ja) * 2017-08-25 2019-03-14 国立研究開発法人産業技術総合研究所 化合物設計装置と化合物設計方法及び化合物設計プログラム
JP2020194488A (ja) * 2019-05-30 2020-12-03 富士通株式会社 材料特性予測装置、材料特性予測方法、及び材料特性予測プログラム
CN110728047A (zh) * 2019-10-08 2020-01-24 中国工程物理研究院化工材料研究所 一种基于机器学习性能预测含能分子计算机辅助设计系统

Non-Patent Citations (3)

* Cited by examiner, † Cited by third party
Title
DIMITRIS K. AGRAFIOTIS ET.AL.: "Efficient Substructure Searching of Large Chemical Libraries The ABCD Chemical Cartridge", 《JOURNAL OF CHEMICAL INFORMATION AND MODELING》, vol. 51, 31 October 2011 (2011-10-31), pages 3113 *
V. J. GILLET ET.AL: "Similarity and Dissimilarity Methods for Processing Chemical Structure Databases", 《THE COMPUTER JOURNAL》, vol. 41, no. 8, 31 January 1998 (1998-01-31), pages 547 *
马国华等: "计算机化学信息系统的应用与未来", 《现代图书情报技术》, no. 4, 25 April 1996 (1996-04-25), pages 45 - 46 *

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JP7753259B2 (ja) 2025-10-14
JPWO2022149394A1 (https=) 2022-07-14
CA3203719A1 (en) 2022-07-14
EP4276839A1 (en) 2023-11-15
US20230335226A1 (en) 2023-10-19
WO2022149394A1 (ja) 2022-07-14
EP4276839A4 (en) 2024-12-04

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