• Search Research Projects
  • Search Researchers
  • How to Use
  1. Back to previous page

The development and application of statistical methods to establishing methogologies of predicting the hazards of chemical substances

Research Project

Project/Area Number 16K21674
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeMulti-year Fund
Research Field Environmental policy and social systems
Environmental impact assessment
Research InstitutionNational Institute of Advanced Industrial Science and Technology

Principal Investigator

Takeshita Jun-ichi  国立研究開発法人産業技術総合研究所, エネルギー・環境領域, 主任研究員 (60574390)

Project Period (FY) 2016-04-01 – 2021-03-31
Project Status Completed (Fiscal Year 2020)
Budget Amount *help
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2019: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2018: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2017: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2016: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Keywords化学物質リスク評価 / 有害性推論 / QSAR / Read-across / 統計的測定精度評価 / 質的尺度 / ISO/TC 69(統計的方法の適用) / 毒性予測 / 副作用予測 / 薬剤性肝障害(DILI) / 質的データ / 2値データ / 順序尺度 / シトクロムP450 / 反復投与毒性 / 化学物質 / リードアクロス / ラボ間比較試験 / ORDANOVA / QSAR(定量的構造活性相関) / ISO 5725 / F検定 / ロジスティック回帰モデル / 組合せ最適化問題 / メタ戦略 / クラスタリング / 応用数学 / 統計数学 / 有害化学物質 / 動物実験代替法
Outline of Final Research Achievements

To assess and manage chemical substances, experiments are often done on animals. However, in terms of time and cost efficiencies and the need for animal protection, there is increasing global demand to use statistical methods to reduce the need for animal testing. Thus, we mainly developed the following two kinds of methodologies. (1) We proposed methods to predict chemical toxicities based on informatics features, such as physicochemical properties of compounds, and biological features obtained from non-animal experiments. (2) We proposed statistical methods to evaluate the measurement accuracy of binary (e.g., presence/absence of toxicity) and ordinal data (e.g., strength of toxicity, weak/middle/strong), in order to quantify the uncertainty of new non-animal experiments.

Academic Significance and Societal Importance of the Research Achievements

本研究課題で得られた成果はいずれも,リスク評価の際の国際的な動物実験数削減に寄与するものである.特に(1)の成果のひとつであるRead-acrossに関するものは,ケーススタディを除いて既存研究が少なく,統計的手法を提案できたことは学術的意義がある.また(2)に関して2値尺度の統計的測定精度評価手法については食品や分析化学など統計や数学以外の分野でも関心が高いため,2値尺度に関するISOガイダンス文章を発行できたことは社会的意義がある.

Report

(6 results)
  • 2020 Annual Research Report   Final Research Report ( PDF )
  • 2019 Research-status Report
  • 2018 Research-status Report
  • 2017 Research-status Report
  • 2016 Research-status Report
  • Research Products

    (40 results)

All 2021 2020 2019 2018 2017 2016 Other

All Journal Article (8 results) (of which Peer Reviewed: 8 results,  Open Access: 4 results) Presentation (28 results) (of which Int'l Joint Research: 12 results,  Invited: 5 results) Remarks (4 results)

  • [Journal Article] Association of CYP1A1 and CYP1B1 inhibition in <i>in vitro</i> assays with drug-induced liver injury2021

    • Author(s)
      Shimizu Yuki,Sasaki Takamitsu,Yonekawa Eri,Yamazaki Hirokazu,Ogura Rui,Watanabe Michiko,Hosaka Takuomi,Shizu Ryota,Takeshita Jun-ichi,Yoshinari Kouichi
    • Journal Title

      The Journal of Toxicological Sciences

      Volume: 46 Issue: 4 Pages: 167-176

    • DOI

      10.2131/jts.46.167

    • NAID

      130008020941

    • ISSN
      0388-1350, 1880-3989
    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] ,Analysis of measurement precision experiment with categorical variables2021

    • Author(s)
      Tomomichi Suzuki, Jun-ichi Takeshita, May Ogawa, Xiao-Nan Lu, and Yoshikazu Ojima
    • Journal Title

      Frontiers in Statistical Quality Control

      Volume: 13 Pages: 303-315

    • DOI

      10.1007/978-3-030-67856-2_17

    • ISBN
      9783030678555, 9783030678562
    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Predictive Biomarkers for the Ranking of Pulmonary Toxicity of Nanomaterials2020

    • Author(s)
      Nishida Chinatsu,Izumi Hiroto,Tomonaga Taisuke,Takeshita Jun-ichi,Wang Ke-Yong,Yamasaki Kei,Yatera Kazuhiro,Morimoto Yasuo
    • Journal Title

      Nanomaterials

      Volume: 10 Issue: 10 Pages: 2032-2032

    • DOI

      10.3390/nano10102032

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Application of cytochrome P450 reactivity on the characterization of chemical compounds and its association with repeated-dose toxicity2020

    • Author(s)
      Michiko Watanabe, Takamitsu Sasaki, Jun-ichi Takeshita, Madoka Kushida, Yuki Shimizu, Hitomi Oki, Yoko Kitsunai, Haruka Nakayama, Hitomi Saruhashi, Rui Ogura, Ryota Shizu, Takuomi Hosaka, Kouichi Yoshinari
    • Journal Title

      Toxicology and Applied Pharmacology

      Volume: 388 Pages: 114854-114854

    • DOI

      10.1016/j.taap.2019.114854

    • Related Report
      2019 Research-status Report
    • Peer Reviewed
  • [Journal Article] Analysis of Measurement Precision Experiment with Categorical Variables2019

    • Author(s)
      Tomomichi Suzuki, Jun-ichi Takeshita, Mayu Ogawa, Xiao-Nan Lu and Yoshikazu Ojima
    • Journal Title

      Proceedings of XIIIth International Workshop on Intelligent Statistical Quality Control 2019

      Volume: 13 Pages: 249-260

    • Related Report
      2019 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Designing a Measurement Precision Experiment considering Distribution of Estimated Precision Measures2018

    • Author(s)
      Tomomichi Suzuki, Jun-ichi Takeshita, Junya Ono, Lu Xiao-Nan
    • Journal Title

      Journal of Physics: Conference Series

      Volume: 1065 Pages: 212015-212015

    • DOI

      10.1088/1742-6596/1065/21/212015

    • Related Report
      2018 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Application of ISO 5725 to evaluate measurement precision of distribution within the lung after intratracheal administration2018

    • Author(s)
      Jun-ichi Takeshita, Junya Ono, Tomomichi Suzuki, Hirokazu Kano, Yutaka Oshima, Yasuo Morimoto, Hiroshi Takehara, Takamasa Numano, Katsuhide Fujita, Naohide Shinohara, Kazuhiro Yamamoto, Kazumasa Honda, Shoji Fukushima, and Masashi Gamo
    • Journal Title

      Series on Advances in Mathematics for Applied Sciences: Volume 89. Advanced Mathematical and Computational Tools in Metrology and Testing Vol XI

      Volume: - Pages: 257-364

    • Related Report
      2018 Research-status Report
    • Peer Reviewed
  • [Journal Article] Discriminative models using molecular descriptors for predicting increased serum ALT levels in repeated-dose toxicity studies of rats2018

    • Author(s)
      Takeshita Jun-ichi、Nakayama Haruka、Kitsunai Yoko、Tanabe Misako、Oki Hitomi、Sasaki Takamitsu、Yoshinari Kouichi
    • Journal Title

      Computational Toxicology

      Volume: 6 Pages: 64-70

    • DOI

      10.1016/j.comtox.2017.05.002

    • Related Report
      2018 Research-status Report 2017 Research-status Report
    • Peer Reviewed
  • [Presentation] Measurement precision with ordinal categorical data2020

    • Author(s)
      Shunsuke Tanigaki, Jun-ichi Takeshita, Shizu Idaka, and Tomomichi Suzuki
    • Organizer
      The 18th ANQ Congress 2020
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 薬剤誘発性肝障害の予測評価における化学構造的特徴の解析とATC分類の利用について2020

    • Author(s)
      清水 佑記,米川 恵里,佐々木 崇光,山崎 弘量,渡邉 美智子,志津 怜太,保坂 卓臣,竹下 潤一,吉成 浩一
    • Organizer
      第47回日本毒性学会学術年会
    • Related Report
      2020 Annual Research Report
  • [Presentation] Quantitative read-across approach for predicting chemical toxicity2020

    • Author(s)
      Jun-ichi Takeshita
    • Organizer
      The 8th French-Japanese Workshop on Computational Methods in Chemistry (FJCMC2020)
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] ヒト健康リスク評価のためのQSAR研究の課題2019

    • Author(s)
      竹下潤一
    • Organizer
      第25回(2019年)日本環境毒性学会研究発表会
    • Related Report
      2019 Research-status Report
    • Invited
  • [Presentation] 分子記述子を用いたリードアクロスによる反復投与毒性予測評価の検討2019

    • Author(s)
      栃久保 善博, 橘内 陽子, 竹下 潤一, 渡邉 美智子, 佐々木 崇光, 保坂 卓臣, 志津 怜太, 吉成 浩一
    • Organizer
      日本動物実験代替法学会 第32回大会
    • Related Report
      2019 Research-status Report
  • [Presentation] Read-across approach using molecular descriptors for the prediction of rat repeated-dose toxicity2019

    • Author(s)
      Yoko Kitsunai, Jun-ichi Takeshita, Michiko Watanabe, Takuomi Hosaka, Ryota Shizu, Takamitsu Sasaki, Kouichi Yoshinari
    • Organizer
      EUROTOX 2019
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research
  • [Presentation] Michiko Watanabe, Takamitsu Sasaki, Jun-ichi Takeshita, Ryota Shizu, Takuomi Hosaka, Kouichi Yoshinari2019

    • Author(s)
      Association of cytochrome P450 reactivity and repeated-dose toxicity of chemical compounds
    • Organizer
      12th International ISSX Meeting
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research
  • [Presentation] Analysis of Measurement Precision Experiment with Categorical Variables2019

    • Author(s)
      Tomomichi Suzuki, Jun-ichi Takeshita, Mayu Ogawa, Xiao-Nan Lu and Yoshikazu Ojima
    • Organizer
      XIIIth INTERNATIONAL WORKSHOP on Intelligent Statistical Quality Control
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research
  • [Presentation] インビボ毒性試験データベースを用いたラット反復投与毒性のインシリコ予測2018

    • Author(s)
      竹下潤一
    • Organizer
      第41回ケモインフォマティクス討論会
    • Related Report
      2018 Research-status Report
    • Invited
  • [Presentation] Designing a measurement precision experiment considering distribution of estimated precision measures2018

    • Author(s)
      Tomomichi Suzuki, Jun-ichi Takeshita, Junya Ono, and Xiao-Nan Liu
    • Organizer
      The XXII World Congress of the International Measurement Confederation (IMEKO)
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] Classification of chemical compounds with repeated dose toxicity based on the reactivity against cytochrome P450s2018

    • Author(s)
      Michiko Watanabe, Takamitsu Sasaki, Jun-ichi Takeshita, Takuomi Hosaka, Ryouta Shizu, and Kouichi Yoshinari
    • Organizer
      2018 International Meeting on 33rd JSSX and 22nd MDO
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] Classification of toxicological findings observed in repeate-dose toxicity tests by using statistical analysis with toxicity test database2018

    • Author(s)
      Yoko Kitsunai, Jun-ichi Takeshita, Michiko Watanabe, Takamitsu Sasaki, Takuomi Hosaka, Ryouta Shizu, and Kouichi Yoshinari
    • Organizer
      Eurotox 2018
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] Application of cytochrome P450 reactivity assessment to the prediction of depeated-dose toxicity of chemicals2018

    • Author(s)
      Michiko Watanabe, Takamitsu Sasaki, Jun-ichi Takeshita, Ryouta Shizu, Takuomi Hosaka, and Kouichi Yoshinari
    • Organizer
      The 6th Asia Pacific ISSX Meeting 2018
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] 統計的手法に基づいた毒性所見の分類2018

    • Author(s)
      橘内陽子, 竹下潤一, 渡邉美智子, 佐々木崇光, 保坂卓臣, 志津怜太, 吉成浩一
    • Organizer
      第45回日本毒性学会学術年会
    • Related Report
      2018 Research-status Report
  • [Presentation] 決定木を利用した肝毒性物質を判別する構造的条件の探索2018

    • Author(s)
      中山晴香, 竹下潤一, 佐々木崇光, 保坂卓臣, 志津怜太, 吉成浩一
    • Organizer
      第45回日本毒性学会学術年会
    • Related Report
      2018 Research-status Report
  • [Presentation] 化学物質のヒトP450阻害活性とその肝障害発症との関連性2017

    • Author(s)
      佐々木崇光, 渡邉美智子, 清水佑記, 櫛田まどか, 隠岐仁美, 竹下潤一, 保坂卓臣, 吉成浩一
    • Organizer
      日本薬学会 第137年会
    • Place of Presentation
      仙台
    • Year and Date
      2017-03-27
    • Related Report
      2016 Research-status Report
  • [Presentation] インビボ毒性試験データを用いた核内受容体PXRおよびCARの新規機能の探索2017

    • Author(s)
      橘内陽子, 竹下潤一, 保坂卓臣, 佐々木崇光, 吉成浩一
    • Organizer
      日本薬学会 第137年会
    • Place of Presentation
      仙台
    • Year and Date
      2017-03-27
    • Related Report
      2016 Research-status Report
  • [Presentation] インビボ毒性試験データベースを利用したラット肝毒性のインシリコ予測手法の開発2017

    • Author(s)
      竹下潤一
    • Organizer
      第6回生命医薬情報学連合大会
    • Related Report
      2017 Research-status Report
    • Invited
  • [Presentation] 統計的学習による肝毒性の判別分析2017

    • Author(s)
      竹下潤一
    • Organizer
      第44回日本毒性学会学術年会
    • Related Report
      2017 Research-status Report
    • Invited
  • [Presentation] Application of ISO 5725 to evaluate measurement precision of distribution within the lung after intratracheal administration2017

    • Author(s)
      Jun-ichi Takeshita, Tomomichi Suzuki, Hirokazu Kano, Yutaka Oshima, Yasuo Morimoto, Hiroshi Takehara, Takamasa Numano, Katsuhide Fujita, Naohide Shinohara, Kazuhiro Yamamoto, Kazumasa Honda, Shoji Fukushima, and Masashi Gamo
    • Organizer
      Advanced Mathematical and Computational Tools in Metrology and Testing XI (AMCTM2017)
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] Prediction of hepatotoxicity in rats by statistical approaches2016

    • Author(s)
      Jun-ichi Takeshita, Hitomi Oki, and Kouichi Yoshinari
    • Organizer
      SRA 2016 Annual Meeting
    • Place of Presentation
      San Diego, USA
    • Year and Date
      2016-12-12
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] 複数の統計的手法の組み合わせによるラット肝毒性の判別分析2016

    • Author(s)
      竹下潤一, 中山晴香, 橘内陽子, 隠岐仁美, 吉成浩一
    • Organizer
      動物実験代替法学会第29回大会
    • Place of Presentation
      九州大学
    • Year and Date
      2016-11-18
    • Related Report
      2016 Research-status Report
  • [Presentation] 薬物代謝酵素シトクロムP450阻害活性を指標とした化学物質の生物学的プロファイリング2016

    • Author(s)
      渡邉美智子, 清水佑記, 櫛田まどか, 隠岐仁美, 竹下潤一, 保坂卓臣, 佐々木崇光, 吉成浩一
    • Organizer
      動物実験代替法学会第29回大会
    • Place of Presentation
      九州大学
    • Year and Date
      2016-11-17
    • Related Report
      2016 Research-status Report
  • [Presentation] 分子記述子と階層的クラスタリングを利用したラット肝毒性のインシリコ予測の試み2016

    • Author(s)
      吉成浩一, 中山晴香, 橘内陽子, 隠岐仁美, 保坂卓臣, 佐々木崇光, 竹下潤一
    • Organizer
      動物実験代替法学会第29回大会
    • Place of Presentation
      九州大学
    • Year and Date
      2016-11-17
    • Related Report
      2016 Research-status Report
  • [Presentation] 肝障害性化学物質のヒトシトクロムP450阻害活性2016

    • Author(s)
      渡邉美智子, 清水佑記, 櫛田まどか, 隠岐仁美, 竹下潤一, 保坂卓臣, 佐々木崇光, 吉成浩一
    • Organizer
      フォーラム2016 衛生薬学・環境トキシコロジー
    • Place of Presentation
      昭和大学
    • Year and Date
      2016-09-10
    • Related Report
      2016 Research-status Report
  • [Presentation] メタ戦略による化学物質の有害性評価に有効なRNAの選択について2016

    • Author(s)
      豊田章倫, 遠藤靖典, 宮本定明, 竹下潤一
    • Organizer
      第32回ファジィシステムシンポジウム
    • Place of Presentation
      佐賀大学
    • Year and Date
      2016-09-01
    • Related Report
      2016 Research-status Report
  • [Presentation] 遺伝子発現データのデータ特徴に着目したクラスタリング解析2016

    • Author(s)
      阿部亮介, 宮本定明, 遠藤靖典, 竹下潤一
    • Organizer
      第32回ファジィシステムシンポジウム
    • Place of Presentation
      佐賀大学
    • Year and Date
      2016-09-01
    • Related Report
      2016 Research-status Report
  • [Presentation] New approach for the prediction of repeated-dose toxicity using in vitro and in silico methods in combination with in vivo toxicity database2016

    • Author(s)
      Kouichi Yoshinari, Hitomi Oki, Takamitsu Sasaki, Takuomi Hosaka, and Jun-ichi Takeshita
    • Organizer
      ICCA-LRI and NIHS Workshop
    • Place of Presentation
      Awaji Island, Japan
    • Year and Date
      2016-06-15
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Remarks] Web Page of Jun-ichi Takeshita

    • URL

      https://staff.aist.go.jp/jun-takeshita/

    • Related Report
      2020 Annual Research Report
  • [Remarks] Web Page of Jun-ichi Takeshita

    • URL

      https://sites.google.com/view/junbow52/

    • Related Report
      2019 Research-status Report
  • [Remarks] Web Page of Jun-ichi Takeshita

    • URL

      https://sites.google.com/site/junbow52/

    • Related Report
      2018 Research-status Report
  • [Remarks] Web Page of Jun-ichi Takeshita

    • URL

      https://staff.aist.go.jp/jun-takeshita/index.html

    • Related Report
      2017 Research-status Report 2016 Research-status Report

URL: 

Published: 2016-04-21   Modified: 2023-03-16  

Information User Guide FAQ News Terms of Use Attribution of KAKENHI

Powered by NII kakenhi