ADMET prediction and its applications to new structure proposal AI

DOI
  • Honma Teruki
    Laboratory for Structure-Based Molecular Design, RIKEN Center for Biosystems Dynamics Research

Bibliographic Information

Other Title
  • ADMET予測とそれを活用した新規構造提案AIへの展開

Description

<p>Since October 2015, the drug discovery informatics project has been started at the Japan Agency for Medical Research and Development (AMED). We are building an informatics platform to predict ADMET, which is a bottle neck of drug discovery, and design promising drug candidates. On the other hand, WG 5 of LINC is developing a structure generation AI and a synthetic path AI in addition to prediction by ADMET AI, and aims at a structure proposal AI that enables simultaneous optimization by integrating them. In this chapter, we review the recent situation of ADMET prediction including AI development.</p>

Journal

  • MEDCHEM NEWS

    MEDCHEM NEWS 28 (4), 167-174, 2018-11-01

    The Pharmaceutical Society of Japan

Keywords

Details 詳細情報について

  • CRID
    1390285300155824896
  • NII Article ID
    130007839740
  • DOI
    10.14894/medchem.28.4_167
  • ISSN
    24328626
    24328618
  • Text Lang
    ja
  • Data Source
    • JaLC
    • CiNii Articles
  • Abstract License Flag
    Disallowed

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