Classification of bioisosteres using expanded electronic descriptor

DOI
  • Kosugi Yusei
    Graduate School of Science and Technology, Kumamoto University
  • Iwane Ryo
    Graduate School of Science and Technology, Kumamoto University
  • Sugimoto Manabu
    Graduate School of Science and Technology, Kumamoto University Research Center for Advanced Science and Technology, The University of Tokyo

Bibliographic Information

Other Title
  • 拡張された電子的記述子による生物学的等価体の分類に関する検討

Description

Bioisosteres are partial structures that can be replaced without altering the primary activity of a medicine. Bioisosteres are most often classified by chemical structure. Since a chemical structure depends on its electronic structure, it is expected possible to classify the bioisosteres to electronic-structure calculations. In this study, we attempt to classify bioisosteres based on similarity of electronic structures represented by an expanded set of electronic descriptors.

Journal

Keywords

Details 詳細情報について

  • CRID
    1390001205736408960
  • NII Article ID
    130005418920
  • DOI
    10.11545/ciqs.2016.0_p1
  • Text Lang
    ja
  • Data Source
    • JaLC
    • CiNii Articles
  • Abstract License Flag
    Disallowed

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