Electronic-structure informatics study on prediction and classification for agonist-antagonist targeting biogenic amine receptors

DOI
  • Morikawa Ikumi
    Department of Applied Chemistry & Biochemistry, Faculty of Engineering, Kumamoto University
  • Ohta Hiroto
    Graduate School of Science and Technology, Kumamoto University
  • Sugimoto Manabu
    Department of Applied Chemistry & Biochemistry, Faculty of Engineering, Kumamoto University Graduate School of Science and Technology, Kumamoto University Research Center for Advanced Science and Technology, The University of Tokyo

Bibliographic Information

Other Title
  • 生体アミン受容体を標的とするアゴニスト・アンタゴニストの分類と予測に関する電子状態インフォマティクス研究
  • 電子的因子の拡張に関する検討
  • Extension of electronic descriptors

Description

Molecules which selectively interact with biogenic amine receptors are investigated by using the electronic-structure informatics method. Through molecular similarity search on the basis of electronic-structure calculations, classification of agonists and antagonists was carried out. In this presentation, we will introduce more electronic descriptors than those defined in our previous presentation.

Journal

Keywords

Details 詳細情報について

  • CRID
    1390001205736422784
  • NII Article ID
    130005418930
  • DOI
    10.11545/ciqs.2016.0_p5
  • Text Lang
    ja
  • Data Source
    • JaLC
    • CiNii Articles
  • Abstract License Flag
    Disallowed

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