JPWO2022130648A1 - - Google Patents

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Publication number
JPWO2022130648A1
JPWO2022130648A1 JP2022569687A JP2022569687A JPWO2022130648A1 JP WO2022130648 A1 JPWO2022130648 A1 JP WO2022130648A1 JP 2022569687 A JP2022569687 A JP 2022569687A JP 2022569687 A JP2022569687 A JP 2022569687A JP WO2022130648 A1 JPWO2022130648 A1 JP WO2022130648A1
Authority
JP
Japan
Legal status (The legal status is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the status listed.)
Granted
Application number
JP2022569687A
Other versions
JPWO2022130648A5 (ja
JP7563485B2 (ja
Priority date (The priority date is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the date listed.)
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Application filed filed Critical
Publication of JPWO2022130648A1 publication Critical patent/JPWO2022130648A1/ja
Publication of JPWO2022130648A5 publication Critical patent/JPWO2022130648A5/ja
Application granted granted Critical
Publication of JP7563485B2 publication Critical patent/JP7563485B2/ja
Active legal-status Critical Current
Anticipated expiration legal-status Critical

Links

Classifications

    • G—PHYSICS
    • G06—COMPUTING; CALCULATING OR COUNTING
    • G06N—COMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N20/00—Machine learning
    • G—PHYSICS
    • G06—COMPUTING; CALCULATING OR COUNTING
    • G06N—COMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N3/00—Computing arrangements based on biological models
    • G06N3/02—Neural networks
    • G06N3/08—Learning methods
    • G06N3/084—Backpropagation, e.g. using gradient descent
    • 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
    • G16C20/10—Analysis or design of chemical reactions, syntheses or processes
    • 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
    • G16C20/70—Machine learning, data mining or chemometrics
    • Y—GENERAL TAGGING OF NEW TECHNOLOGICAL DEVELOPMENTS; GENERAL TAGGING OF CROSS-SECTIONAL TECHNOLOGIES SPANNING OVER SEVERAL SECTIONS OF THE IPC; TECHNICAL SUBJECTS COVERED BY FORMER USPC CROSS-REFERENCE ART COLLECTIONS [XRACs] AND DIGESTS
    • Y02—TECHNOLOGIES OR APPLICATIONS FOR MITIGATION OR ADAPTATION AGAINST CLIMATE CHANGE
    • Y02P—CLIMATE CHANGE MITIGATION TECHNOLOGIES IN THE PRODUCTION OR PROCESSING OF GOODS
    • Y02P90/00—Enabling technologies with a potential contribution to greenhouse gas [GHG] emissions mitigation
    • Y02P90/30—Computing systems specially adapted for manufacturing

Landscapes

  • Engineering & Computer Science (AREA)
  • Theoretical Computer Science (AREA)
  • Software Systems (AREA)
  • Physics & Mathematics (AREA)
  • Computing Systems (AREA)
  • Evolutionary Computation (AREA)
  • Data Mining & Analysis (AREA)
  • Mathematical Physics (AREA)
  • Artificial Intelligence (AREA)
  • General Engineering & Computer Science (AREA)
  • General Physics & Mathematics (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Chemical & Material Sciences (AREA)
  • Computer Vision & Pattern Recognition (AREA)
  • Medical Informatics (AREA)
  • Computational Linguistics (AREA)
  • Molecular Biology (AREA)
  • General Health & Medical Sciences (AREA)
  • Biophysics (AREA)
  • Biomedical Technology (AREA)
  • Health & Medical Sciences (AREA)
  • Analytical Chemistry (AREA)
  • Chemical Kinetics & Catalysis (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Information Retrieval, Db Structures And Fs Structures Therefor (AREA)
  • Communication Control (AREA)
JP2022569687A 2020-12-18 2020-12-18 情報処理プログラム、情報処理方法および情報処理装置 Active JP7563485B2 (ja)

Applications Claiming Priority (1)

Application Number Priority Date Filing Date Title
PCT/JP2020/047562 WO2022130648A1 (ja) 2020-12-18 2020-12-18 情報処理プログラム、情報処理方法および情報処理装置

Publications (3)

Publication Number Publication Date
JPWO2022130648A1 true JPWO2022130648A1 (ja) 2022-06-23
JPWO2022130648A5 JPWO2022130648A5 (ja) 2023-07-05
JP7563485B2 JP7563485B2 (ja) 2024-10-08

Family

ID=82059317

Family Applications (1)

Application Number Title Priority Date Filing Date
JP2022569687A Active JP7563485B2 (ja) 2020-12-18 2020-12-18 情報処理プログラム、情報処理方法および情報処理装置

Country Status (6)

Country Link
US (1) US20230252351A1 (ja)
EP (1) EP4266316A4 (ja)
JP (1) JP7563485B2 (ja)
CN (1) CN116648753A (ja)
AU (1) AU2020481898A1 (ja)
WO (1) WO2022130648A1 (ja)

Family Cites Families (10)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
EP0935784A2 (en) * 1996-11-04 1999-08-18 3-Dimensional Pharmaceuticals, Inc. System, method and computer program product for identifying chemical compounds having desired properties
US10679733B2 (en) * 2016-10-06 2020-06-09 International Business Machines Corporation Efficient retrosynthesis analysis
US10430395B2 (en) * 2017-03-01 2019-10-01 International Business Machines Corporation Iterative widening search for designing chemical compounds
US11087861B2 (en) * 2018-03-15 2021-08-10 International Business Machines Corporation Creation of new chemical compounds having desired properties using accumulated chemical data to construct a new chemical structure for synthesis
WO2020023650A1 (en) * 2018-07-25 2020-01-30 Wuxi Nextcode Genomics Usa, Inc. Retrosynthesis prediction using deep highway networks and multiscale reaction classification
JP7115107B2 (ja) 2018-07-26 2022-08-09 株式会社デンソー 車両のシャッタ装置
US11735292B2 (en) * 2018-08-07 2023-08-22 International Business Machines Corporation Intelligent personalized chemical synthesis planning
US11393560B2 (en) * 2018-11-13 2022-07-19 Recursion Pharmaceuticals, Inc. Systems and methods for high throughput compound library creation
CN109872780A (zh) 2019-03-14 2019-06-11 北京深度制耀科技有限公司 一种化学合成路线的确定方法及装置
JP7246979B2 (ja) * 2019-03-18 2023-03-28 株式会社日立製作所 生物反応情報処理システムおよび生物反応情報処理方法

Also Published As

Publication number Publication date
WO2022130648A1 (ja) 2022-06-23
US20230252351A1 (en) 2023-08-10
CN116648753A (zh) 2023-08-25
EP4266316A1 (en) 2023-10-25
EP4266316A4 (en) 2024-02-07
JP7563485B2 (ja) 2024-10-08
AU2020481898A1 (en) 2023-06-15

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