Application of computational toxicology at the early-stage of drug discovery

DOI
  • HARA Hideto
    Drug Safety Research and Evaluation, Takeda Pharmaceutical Company Limited

Bibliographic Information

Other Title
  • 創薬初期プロセスでのComputational Toxicologyの活用

Abstract

<p>Since there are still many compounds terminated due to safety concerns in preclinical and clinical studies, compound evaluation and design with safety perspective are strongly needed at the early-stage of drug discovery. We have developed in vitro tiered screening strategy and provided two types of computational support for the purpose. One is a prediction by QSAR models and the other is a structural modification based on matched molecular pair DB, which were built by the large amount of screening data. In this presentation, I would like to introduce the approaches.</p>

Journal

Details 詳細情報について

  • CRID
    1390289011244392832
  • NII Article ID
    130008073948
  • DOI
    10.14869/toxpt.48.1.0_s19-5
  • Text Lang
    ja
  • Data Source
    • JaLC
    • CiNii Articles
  • Abstract License Flag
    Disallowed

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