CA3203480A1 - Information processing apparatus, information processing method, and information processing program - Google Patents

Information processing apparatus, information processing method, and information processing program

Info

Publication number
CA3203480A1
CA3203480A1 CA3203480A CA3203480A CA3203480A1 CA 3203480 A1 CA3203480 A1 CA 3203480A1 CA 3203480 A CA3203480 A CA 3203480A CA 3203480 A CA3203480 A CA 3203480A CA 3203480 A1 CA3203480 A1 CA 3203480A1
Authority
CA
Canada
Prior art keywords
novel
chemical substance
input
information processing
processor
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.)
Pending
Application number
CA3203480A
Other languages
English (en)
French (fr)
Inventor
Hirokazu YARIMIZU
Yasushi HIKIDA
Current Assignee (The listed assignees may be inaccurate. Google has not performed a legal analysis and makes no representation or warranty as to the accuracy of the list.)
Fujifilm Corp
Original Assignee
Individual
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.)
Filing date
Publication date
Application filed by Individual filed Critical Individual
Publication of CA3203480A1 publication Critical patent/CA3203480A1/en
Pending legal-status Critical Current

Links

Classifications

    • 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
    • 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
    • G16C20/20—Identification of molecular entities, parts thereof or of chemical compositions
    • 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
    • G16C20/80—Data visualisation
    • 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
    • G16C20/90—Programming languages; Computing architectures; Database systems; Data warehousing
    • 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

Landscapes

  • Engineering & Computer Science (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Chemical & Material Sciences (AREA)
  • Computing Systems (AREA)
  • Theoretical Computer Science (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Physics & Mathematics (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Health & Medical Sciences (AREA)
  • Pharmacology & Pharmacy (AREA)
  • Medicinal Chemistry (AREA)
  • General Health & Medical Sciences (AREA)
  • Data Mining & Analysis (AREA)
  • Databases & Information Systems (AREA)
  • Software Systems (AREA)
  • Information Retrieval, Db Structures And Fs Structures Therefor (AREA)
  • Organic Low-Molecular-Weight Compounds And Preparation Thereof (AREA)
CA3203480A 2021-01-07 2021-12-07 Information processing apparatus, information processing method, and information processing program Pending CA3203480A1 (en)

Applications Claiming Priority (3)

Application Number Priority Date Filing Date Title
JP2021001611 2021-01-07
JP2021-001611 2021-01-07
PCT/JP2021/044993 WO2022149395A1 (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
CA3203480A1 true CA3203480A1 (en) 2022-07-14

Family

ID=82357386

Family Applications (1)

Application Number Title Priority Date Filing Date
CA3203480A Pending CA3203480A1 (en) 2021-01-07 2021-12-07 Information processing apparatus, information processing method, and information processing program

Country Status (6)

Country Link
US (1) US20230335230A1 (https=)
EP (1) EP4276840A4 (https=)
JP (1) JPWO2022149395A1 (https=)
CN (1) CN116745759A (https=)
CA (1) CA3203480A1 (https=)
WO (1) WO2022149395A1 (https=)

Families Citing this family (3)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP7388578B1 (ja) 2023-01-16 2023-11-29 住友ベークライト株式会社 化学構造提案方法、プログラム、および化学構造提案装置
KR20240147234A (ko) * 2023-03-31 2024-10-08 주식회사 엘지화학 Lc-ms/ms의 조각 이온으로부터 모분자의 분자구조를 획득하는 방법 및 시스템
JPWO2025009246A1 (https=) * 2023-07-04 2025-01-09

Family Cites Families (11)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP2001058962A (ja) 1999-08-20 2001-03-06 Mitsubishi Chemicals Corp 分子構造開発支援システム及び分子構造開発支援方法、並びに、分子構造抽出装置，分子構造抽出方法及び分子構造抽出プログラムを格納したコンピュータ読取可能な記録媒体
JP2006323833A (ja) * 2005-04-19 2006-11-30 Zoegene Corp 生理活性化合物の設計方法及び設計装置、並びに生理活性化合物の設計プログラム
JP2007277188A (ja) * 2006-04-10 2007-10-25 Hitachi Ltd 化合物検索支援システム
JP5741387B2 (ja) * 2011-11-08 2015-07-01 富士通株式会社 情報提供装置、情報提供プログラムおよび情報提供方法
CN106650181B (zh) * 2015-07-31 2021-08-06 中国石油化工股份有限公司 一种计算烃类化合物密度的方法
WO2018230492A1 (ja) * 2017-06-16 2018-12-20 本田技研工業株式会社 情報処理装置、情報処理方法、及びプログラム
WO2019075461A1 (en) * 2017-10-13 2019-04-18 BioAge Labs, Inc. DRUG REPOSITIONING BASED ON DEEP INTEGRATIONS OF GENE EXPRESSION PROFILES
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
JP7116186B2 (ja) * 2018-09-14 2022-08-09 富士フイルム株式会社 化合物探索方法、化合物探索プログラム、記録媒体、及び化合物探索装置
CN113454728B (zh) * 2019-02-12 2024-12-24 Jsr株式会社 数据处理方法、数据处理装置以及数据处理系统
JP2021001611A (ja) 2019-06-19 2021-01-07 有限会社アールストーン 配管支持具

Also Published As

Publication number Publication date
CN116745759A (zh) 2023-09-12
EP4276840A4 (en) 2024-12-04
WO2022149395A1 (ja) 2022-07-14
US20230335230A1 (en) 2023-10-19
EP4276840A1 (en) 2023-11-15
JPWO2022149395A1 (https=) 2022-07-14

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