AU2020481898A1 - Information processing program, information processing method, and information processing device - Google Patents

Information processing program, information processing method, and information processing device Download PDF

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Publication number
AU2020481898A1
AU2020481898A1 AU2020481898A AU2020481898A AU2020481898A1 AU 2020481898 A1 AU2020481898 A1 AU 2020481898A1 AU 2020481898 A AU2020481898 A AU 2020481898A AU 2020481898 A AU2020481898 A AU 2020481898A AU 2020481898 A1 AU2020481898 A1 AU 2020481898A1
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AU
Australia
Prior art keywords
vector
vectors
target compound
subcompound
reagent
Prior art date
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.)
Abandoned
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AU2020481898A
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English (en)
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AU2020481898A9 (en
Inventor
Minoru Hagiwara
Masahiro Kataoka
Ryo Matsumura
Mitsuhito Wada
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Fujitsu Ltd
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Fujitsu Ltd
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Application filed by Fujitsu Ltd filed Critical Fujitsu Ltd
Publication of AU2020481898A1 publication Critical patent/AU2020481898A1/en
Publication of AU2020481898A9 publication Critical patent/AU2020481898A9/en
Abandoned legal-status Critical Current

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    • G—PHYSICS
    • G06—COMPUTING OR CALCULATING; COUNTING
    • G06N—COMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS
    • G06N20/00—Machine learning
    • G—PHYSICS
    • G06—COMPUTING OR CALCULATING; 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

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  • 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)
AU2020481898A 2020-12-18 2020-12-18 Information processing program, information processing method, and information processing device Abandoned AU2020481898A1 (en)

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 (2)

Publication Number Publication Date
AU2020481898A1 true AU2020481898A1 (en) 2023-06-15
AU2020481898A9 AU2020481898A9 (en) 2024-10-24

Family

ID=82059317

Family Applications (1)

Application Number Title Priority Date Filing Date
AU2020481898A Abandoned AU2020481898A1 (en) 2020-12-18 2020-12-18 Information processing program, information processing method, and information processing device

Country Status (6)

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

Family Cites Families (11)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
CA2269669A1 (en) * 1996-11-04 1998-05-14 3-Dimensional Pharmaceuticals, Inc. System, method and computer program product for identifying chemical compounds having desired properties
JP6114728B2 (ja) * 2014-09-29 2017-04-12 富士フイルム株式会社 投映像表示用部材および投映像表示システム
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
CN116648753A (zh) 2023-08-25
EP4266316A4 (en) 2024-02-07
US20230252351A1 (en) 2023-08-10
EP4266316A1 (en) 2023-10-25
JPWO2022130648A1 (https=) 2022-06-23
WO2022130648A1 (ja) 2022-06-23
JP7563485B2 (ja) 2024-10-08

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Legal Events

Date Code Title Description
SREP Specification republished
MK4 Application lapsed section 142(2)(d) - no continuation fee paid for the application