JPWO2022181420A1 - - Google Patents

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Publication number
JPWO2022181420A1
JPWO2022181420A1 JP2023502319A JP2023502319A JPWO2022181420A1 JP WO2022181420 A1 JPWO2022181420 A1 JP WO2022181420A1 JP 2023502319 A JP2023502319 A JP 2023502319A JP 2023502319 A JP2023502319 A JP 2023502319A JP WO2022181420 A1 JPWO2022181420 A1 JP WO2022181420A1
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JP
Japan
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JP2023502319A
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JP7495674B2 (ja
JPWO2022181420A5 (ja
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Priority to JP2024041781A priority Critical patent/JP2024075659A/ja
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    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N33/00—Investigating or analysing materials by specific methods not covered by groups G01N1/00 - G01N31/00
    • 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
    • G16C20/70—Machine learning, data mining or chemometrics

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  • Life Sciences & Earth Sciences (AREA)
  • Chemical & Material Sciences (AREA)
  • Engineering & Computer Science (AREA)
  • Health & Medical Sciences (AREA)
  • Theoretical Computer Science (AREA)
  • Computing Systems (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • General Health & Medical Sciences (AREA)
  • Pathology (AREA)
  • Computer Vision & Pattern Recognition (AREA)
  • General Physics & Mathematics (AREA)
  • Biochemistry (AREA)
  • Analytical Chemistry (AREA)
  • Physics & Mathematics (AREA)
  • Medicinal Chemistry (AREA)
  • Food Science & Technology (AREA)
  • Artificial Intelligence (AREA)
  • Immunology (AREA)
  • Data Mining & Analysis (AREA)
  • Databases & Information Systems (AREA)
  • Evolutionary Computation (AREA)
  • Medical Informatics (AREA)
  • Software Systems (AREA)
  • Organic Low-Molecular-Weight Compounds And Preparation Thereof (AREA)
  • Management, Administration, Business Operations System, And Electronic Commerce (AREA)
JP2023502319A 2021-02-25 2022-02-16 化合物の環境・生体有害性の評価方法及び設計方法、化学物質の製造方法、化合物並びに化学物質 Active JP7495674B2 (ja)

Priority Applications (1)

Application Number Priority Date Filing Date Title
JP2024041781A JP2024075659A (ja) 2021-02-25 2024-03-16 化合物の環境・生体有害性の評価方法及び設計方法、化学物質の製造方法、化合物並びに化学物質

Applications Claiming Priority (5)

Application Number Priority Date Filing Date Title
JP2021028723 2021-02-25
JP2021028723 2021-02-25
JP2021145421 2021-09-07
JP2021145421 2021-09-07
PCT/JP2022/006164 WO2022181420A1 (ja) 2021-02-25 2022-02-16 化合物の環境・生体有害性の評価方法及び設計方法、化学物質の製造方法、化合物並びに化学物質

Related Child Applications (1)

Application Number Title Priority Date Filing Date
JP2024041781A Division JP2024075659A (ja) 2021-02-25 2024-03-16 化合物の環境・生体有害性の評価方法及び設計方法、化学物質の製造方法、化合物並びに化学物質

Publications (3)

Publication Number Publication Date
JPWO2022181420A1 true JPWO2022181420A1 (ja) 2022-09-01
JPWO2022181420A5 JPWO2022181420A5 (ja) 2023-05-24
JP7495674B2 JP7495674B2 (ja) 2024-06-05

Family

ID=83049307

Family Applications (2)

Application Number Title Priority Date Filing Date
JP2023502319A Active JP7495674B2 (ja) 2021-02-25 2022-02-16 化合物の環境・生体有害性の評価方法及び設計方法、化学物質の製造方法、化合物並びに化学物質
JP2024041781A Pending JP2024075659A (ja) 2021-02-25 2024-03-16 化合物の環境・生体有害性の評価方法及び設計方法、化学物質の製造方法、化合物並びに化学物質

Family Applications After (1)

Application Number Title Priority Date Filing Date
JP2024041781A Pending JP2024075659A (ja) 2021-02-25 2024-03-16 化合物の環境・生体有害性の評価方法及び設計方法、化学物質の製造方法、化合物並びに化学物質

Country Status (2)

Country Link
JP (2) JP7495674B2 (ja)
WO (1) WO2022181420A1 (ja)

Citations (8)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP2006023156A (ja) * 2004-07-07 2006-01-26 Toshiba Corp 化学物質毒性の評価方法および評価装置
JP2011173821A (ja) * 2010-02-24 2011-09-08 Sumitomo Chemical Co Ltd 化学物質の活性度の予測方法
CN103714220A (zh) * 2014-01-07 2014-04-09 中国科学院烟台海岸带研究所 预测海岸带持久性有机污染物消除速率的方法
JP2017097803A (ja) * 2015-11-27 2017-06-01 新日鐵住金株式会社 予測装置、方法及びプログラム
WO2017203601A1 (ja) * 2016-05-24 2017-11-30 三井情報株式会社 情報処理装置、情報処理方法、情報処理システム及びプログラム
JP2019020791A (ja) * 2017-07-12 2019-02-07 国立大学法人岐阜大学 毒性予測方法及びその利用
KR20200072585A (ko) * 2018-11-30 2020-06-23 이율희 인공지능에 기반한 대상 물질의 유해성과 위해성 예측 방법
US20200294630A1 (en) * 2019-03-12 2020-09-17 California Institute Of Technology Systems and Methods for Determining Molecular Structures with Molecular-Orbital-Based Features

Patent Citations (8)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP2006023156A (ja) * 2004-07-07 2006-01-26 Toshiba Corp 化学物質毒性の評価方法および評価装置
JP2011173821A (ja) * 2010-02-24 2011-09-08 Sumitomo Chemical Co Ltd 化学物質の活性度の予測方法
CN103714220A (zh) * 2014-01-07 2014-04-09 中国科学院烟台海岸带研究所 预测海岸带持久性有机污染物消除速率的方法
JP2017097803A (ja) * 2015-11-27 2017-06-01 新日鐵住金株式会社 予測装置、方法及びプログラム
WO2017203601A1 (ja) * 2016-05-24 2017-11-30 三井情報株式会社 情報処理装置、情報処理方法、情報処理システム及びプログラム
JP2019020791A (ja) * 2017-07-12 2019-02-07 国立大学法人岐阜大学 毒性予測方法及びその利用
KR20200072585A (ko) * 2018-11-30 2020-06-23 이율희 인공지능에 기반한 대상 물질의 유해성과 위해성 예측 방법
US20200294630A1 (en) * 2019-03-12 2020-09-17 California Institute Of Technology Systems and Methods for Determining Molecular Structures with Molecular-Orbital-Based Features

Non-Patent Citations (3)

* Cited by examiner, † Cited by third party
Title
今井 隆志 TAKASHI IMAI, 巨大分子系の計算化学 第１版 COMPUTATIONAL CHEMISTRY OF MACROMOLECULAR SYSTEM, vol. 第1版, JPN6023024458, 30 March 2012 (2012-03-30), JP, pages 12 - 22, ISSN: 0005178835 *
吉澤 一成 KAZUNARI YOSHIZAWA, 特集「応用物理における計算科学の現状と将来展望」, vol. 第74巻, JPN6023024459, 10 August 2005 (2005-08-10), JP, pages 1039 - 1044, ISSN: 0005178834 *
田辺 和俊: "化学物質の毒性情報と構造活性相関予測", 情報知識学会誌, vol. 16, no. 3, JPN6021022946, 8 August 2006 (2006-08-08), JP, pages 63 - 84, ISSN: 0005084743 *

Also Published As

Publication number Publication date
JP2024075659A (ja) 2024-06-04
JP7495674B2 (ja) 2024-06-05
WO2022181420A1 (ja) 2022-09-01

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