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Development of automatic descriptor extraction algorithms for ligand prediction.

Research Project

Project/Area Number 22700312
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeSingle-year Grants
Research Field Bioinformatics/Life informatics
Research InstitutionGunma University

Principal Investigator

KATO Tsuyoshi  群馬大学, 大学院・工学研究科, 准教授 (40401236)

Project Period (FY) 2010 – 2011
Project Status Completed (Fiscal Year 2011)
Budget Amount *help
¥2,470,000 (Direct Cost: ¥1,900,000、Indirect Cost: ¥570,000)
Fiscal Year 2011: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2010: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Keywords非線形合成記述子 / サポートベクトルマシン / 転移学習 / 重みつき経験分布 / リガンド予測 / 一般化固有値問題 / P450アイソザイム / 嗅覚受容体 / リガンド / 機械学習 / 記述子 / 化合物 / アルゴリズム
Research Abstract

This study tackled the problem for ligand prediction. The problem is to predict whether specified chemical compounds are interacted with specified target proteins. To achieve accurate prediction of ligands interacting with target proteins, effective descriptors that describe the properties of chemical compounds are crucial. Global models cannot deal with descriptors specific to each local prediction problem. Local models suffer from small sample size problems. This study introduced a concept of transfer learning to develop automatic descriptor extraction algorithms that solve the above two problems simultaneously.

Report

(3 results)
  • 2011 Annual Research Report   Final Research Report ( PDF )
  • 2010 Annual Research Report
  • Research Products

    (3 results)

All 2011 Other

All Journal Article (2 results) (of which Peer Reviewed: 1 results) Remarks (1 results)

  • [Journal Article] Transfer learning for cytochrome P450 isozyme selectivity prediction2011

    • Author(s)
      Reiji Teramoto, Tsuyoshi Kato
    • Journal Title

      Journal of Bioinformatics and Computational Biology

      Volume: Vol.9,No.4 Pages: 521-540

    • Related Report
      2011 Final Research Report
  • [Journal Article] Transfer learning for cytochrome P450 isozyme selectivity prediction2011

    • Author(s)
      R.Teramoto, T.Kato
    • Journal Title

      Journal of Bioinformatics and Computational Biology

      Volume: 9 Pages: 521-540

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Remarks] 現在,非線形合成記述子の成果に関して論文投稿中である.掲載が決まり次第,公開する

    • Related Report
      2011 Final Research Report

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Published: 2010-08-23   Modified: 2016-04-21  

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