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Development of prediction methods for toxicity of chemical substances based on quantitative activity-activity relationship approaches

Research Project

Project/Area Number 25871184
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

Jun-ichi Takeshita  国立研究開発法人産業技術総合研究所, 安全科学研究部門, 主任研究員 (60574390)

Project Period (FY) 2013-04-01 – 2016-03-31
Project Status Completed (Fiscal Year 2015)
Budget Amount *help
¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000)
Fiscal Year 2015: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2014: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2013: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Keywords化学物質 / ヒト健康 / 有害性推論 / QAAR(定量的活性活性相関) / 統計解析 / 遺伝子発現データ / クラスター分析 / 組合せ最適化 / 複合影響評価 / 濃度加算法 / NOEL(無毒性量) / アセスメントファクタ / リスクトレードオフ評価
Outline of Final Research Achievements

We have developed methodologies to predict toxicity level of chemical substances to conduct a risk assessment. First, we assembled existing toxicity data in rats and mice from “Initial Risk Assessment Report,” released by Japan’s National Institute of Technology and Evaluation. We used the data to construct a training dataset, which led to the following two achievements: a) development of a statistical model to predict toxicity level of an endpoint based on the toxicity data of other endpoints, using the structural equation modeling, and b) quantification of assessment factors for each endpoint, which can be used to extrapolate toxicity level of long-term toxicity tests from that of short-term toxicity tests.
Furthermore, other than the study based on the dataset, we have developed a statistical analysis method that allows a risk assessment of combined exposure to multiple chemicals to be expressed in quantified figures.

Report

(4 results)
  • 2015 Annual Research Report   Final Research Report ( PDF )
  • 2014 Research-status Report
  • 2013 Research-status Report
  • Research Products

    (23 results)

All 2016 2015 2014 2013 Other

All Journal Article (6 results) (of which Peer Reviewed: 6 results,  Open Access: 2 results,  Acknowledgement Compliant: 3 results) Presentation (14 results) (of which Int'l Joint Research: 1 results,  Invited: 1 results) Remarks (3 results)

  • [Journal Article] Genome-wide gene expression analysis of mouse embryonic stem cells exposed to p-dichlorobenzene2016

    • Author(s)
      H. Tani, J. Takeshita, H. Aoki, R. Abe, A Toyoda, Y. Endo, S. Miyamoto, M. Gamo, and M. Torimura
    • Journal Title

      Journal of Bioscience and Bioengineering

      Volume: in press Issue: 3 Pages: 329-333

    • DOI

      10.1016/j.jbiosc.2016.02.007

    • NAID

      40020949815

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Criteria for deviation from predictions by the concentration addition model2016

    • Author(s)
      J. Takeshita, T. Seki, and M. Kamo
    • Journal Title

      Environmental Toxicology and Chemistry

      Volume: in press Issue: 7 Pages: 1806-1814

    • DOI

      10.1002/etc.3334

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Ward method of hierarchical clustering for non-Euclidean similarity measures2015

    • Author(s)
      S. Miyamoto, R, Abe, Y, Endo, and J. Takeshita
    • Journal Title

      Proceedings of the 2015 Seventh International Conference of Soft Computing and Pattern Recognition (SoCPaR 2015)

      Volume: - Pages: 60-63

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Investigation of organ-specific assessment factors related to sub-acute and sub-chronic toxicity studies2014

    • Author(s)
      J. Takeshita, A. Kishimoto, and M. Gamo
    • Journal Title

      Fundamental Toxicological Sciences

      Volume: 1 Pages: 1-6

    • NAID

      130005083328

    • Related Report
      2014 Research-status Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] A Quantitative Activity-Activity Relationship Model Based on Covariance Structure Analysis, and its Application to Inferring NOEL Values of Chemical Substances2013

    • Author(s)
      J. Takeshita, M. Gamo, K. Kanefuji, and H. Tsubaki
    • Journal Title

      Journal of Math-for-Industry

      Volume: 5 Pages: 151-159

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Journal Article] 鉛はんだ代替におけるリスクトレードオフ評価のための用量反応関係の導出2013

    • Author(s)
      竹下潤一・蒲生昌志
    • Journal Title

      統計数理

      Volume: 31 Pages: 233-246

    • NAID

      120006020801

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Presentation] 遺伝子発現データに基づく化学物質の類似性について2015

    • Author(s)
      竹下潤一, 阿部亮介, 豊田章倫, 遠藤靖典, 宮本定明, 谷英典, 青木寛, 鳥村政基, 佐藤浩明, 蒲生昌志
    • Organizer
      日本動物実験代替法学会第28回大会
    • Place of Presentation
      ワークピア横浜, 横浜
    • Year and Date
      2015-12-11
    • Related Report
      2015 Annual Research Report
  • [Presentation] 非ユークリッド的類似度に対する階層的クラスタリング2015

    • Author(s)
      宮本定明, 阿部亮介, 豊田章倫, 遠藤靖典, 竹下潤一
    • Organizer
      第6回横幹連合コンファレンス
    • Place of Presentation
      名古屋工業大学, 名古屋
    • Year and Date
      2015-12-06
    • Related Report
      2015 Annual Research Report
  • [Presentation] Ward method of hierarchical clustering for non-Euclidean similarity measures2015

    • Author(s)
      S. Miyamoto, R. Abe, Y. Endo, and J. Takeshita
    • Organizer
      7th International Conference on Soft Computing and Pattern Recognition
    • Place of Presentation
      Kyushu University, Fukuoka, Japan
    • Year and Date
      2015-11-13
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 構造方程式モデリングを用いた有害性推論手法の開発2015

    • Author(s)
      竹下潤一
    • Organizer
      CBI学会2015年大会「第3回計算毒性学研究会:dryとwetの毒性研究インターフェース」
    • Place of Presentation
      タワーホール船堀, 東京
    • Year and Date
      2015-10-27
    • Related Report
      2015 Annual Research Report
    • Invited
  • [Presentation] mRNA機能のオントロジー構造に着目したクラスタリング2015

    • Author(s)
      阿部亮介, 宮本定明, 遠藤靖典, 竹下潤一, 谷英典
    • Organizer
      第31回ファジィシステムシンポジウム
    • Place of Presentation
      電気通信大学, 東京
    • Year and Date
      2015-09-02
    • Related Report
      2015 Annual Research Report
  • [Presentation] 遺伝子発現データ間の相関関係を特徴づけるRNAの抽出アルゴリズムについて2015

    • Author(s)
      豊田章倫, 遠藤靖典, 宮本定明, 竹下潤一, 谷英典
    • Organizer
      第31回ファジィシステムシンポジウム
    • Place of Presentation
      電気通信大学, 東京
    • Year and Date
      2015-09-02
    • Related Report
      2015 Annual Research Report
  • [Presentation] 構造方程式モデリングによる化学物質応答性核内受容体のインビトロ評価結果とラットのインビボ肝毒性情報の関連解析2015

    • Author(s)
      竹下潤一, 吉成浩一, 中島宏之, 山田隆志, 蒲生昌志
    • Organizer
      第42回日本毒性学会学術年会
    • Place of Presentation
      石川県立音楽堂/金沢市アートホテル/ホテル日光金沢, 金沢
    • Year and Date
      2015-06-29
    • Related Report
      2015 Annual Research Report
  • [Presentation] 複合暴露リスク評価への取り組み2015

    • Author(s)
      竹下潤一
    • Organizer
      化学物質の安全管理に関するシンポジウム-化学物質規制における新たな課題と背景-
    • Place of Presentation
      中央合同庁舎/東京
    • Year and Date
      2015-02-06
    • Related Report
      2014 Research-status Report
  • [Presentation] 定量的リスクトレードオフ解析と定量的活性活性相関 (QAAR) 手法の開発2014

    • Author(s)
      竹下潤一, 蒲生昌志
    • Organizer
      動物実験代替法学会第27回大会
    • Place of Presentation
      横浜国立大学/横浜
    • Year and Date
      2014-12-05 – 2014-12-07
    • Related Report
      2014 Research-status Report
  • [Presentation] Proposing a basis on deviation from the chemical mixture models2014

    • Author(s)
      J. Takeshita, M. Seki, M. Kamo, and K. Kubota
    • Organizer
      The Society of Environmental Toxicology and Chemistry (SETAC) North America 35th Annual Meeting
    • Place of Presentation
      Vancouver Convention Centre/Vancouver/Canada
    • Year and Date
      2014-11-09 – 2014-11-13
    • Related Report
      2014 Research-status Report
  • [Presentation] Genome-wide gene expression analysis by RNA-seq in murine embryonic stem cells2014

    • Author(s)
      H. Tani, J. Takeshita, H. Aoki, M. Gamo. and M. Torimura
    • Organizer
      9th World Congress on Alternatives and Animal Use in the Life Sciences
    • Place of Presentation
      Hotel Hilton Prague/Prague/Czech
    • Year and Date
      2014-08-24 – 2014-08-28
    • Related Report
      2014 Research-status Report
  • [Presentation] 化学物質管理のための亜急性毒性試験と亜慢性毒性試験との比較2014

    • Author(s)
      竹下潤一, 岸本充生, 蒲生昌志
    • Organizer
      第41回日本毒性学会学術年会
    • Place of Presentation
      神戸コンベンションセンター/神戸
    • Year and Date
      2014-07-02 – 2014-07-04
    • Related Report
      2014 Research-status Report
  • [Presentation] QAAR Modeling Using Covariance Structure Analysis and its Application to Calculating NOEL Values and Relative Toxicity Values2013

    • Author(s)
      J. Takeshita, M. Gamo, K. Kanefuji, and H, Tsubaki
    • Organizer
      23rd SETAC Europe Annual Meeting
    • Place of Presentation
      Glasgow/UK
    • Related Report
      2013 Research-status Report
  • [Presentation] Proposing a Framework of QAAR Approaches for Predicting the Toxicity of Chemical Substances: A Case Study on Predicting and Extrapolating the Missing NOEL Values2013

    • Author(s)
      J. Takeshita and M. Gamo
    • Organizer
      SRA 2013 Annual Meeting
    • Place of Presentation
      Baltimore/USA
    • Related Report
      2013 Research-status Report
  • [Remarks] Web Page of Jun-ichi Takeshita

    • URL

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

    • Related Report
      2015 Annual Research Report
  • [Remarks] Web Page of Jun-ichi Takeshita

    • URL

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

    • Related Report
      2014 Research-status Report
  • [Remarks] Web Page pf Jun-ichi Takeshita

    • URL

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

    • Related Report
      2013 Research-status Report

URL: 

Published: 2014-07-25   Modified: 2019-07-29  

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