QSAR modeling and characterization of drugs inducing liver cancer based on mutagenicity and molecular initiating event of AOPs
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- KUROSAKI Kota
- Department of Medical Molecular Informatics, Meiji Pharmaceutical University
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- MASHIYAMA Yuhei
- Department of Medical Molecular Informatics, Meiji Pharmaceutical University
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- SASAKI Shunichi
- Department of Medical Molecular Informatics, Meiji Pharmaceutical University
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- MATSUZAKA Yasunari
- Department of Medical Molecular Informatics, Meiji Pharmaceutical University
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- NAGAI Junko
- Department of Medical Molecular Informatics, Meiji Pharmaceutical University
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- UESAWA Yoshihiro
- Department of Medical Molecular Informatics, Meiji Pharmaceutical University
Bibliographic Information
- Other Title
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- 変異原性・有害性発現経路に基づく肝がん誘発薬物予測QSARモデルの構築及び特徴解析
Abstract
<p> Many cases of liver cancer have been reported in databases as adverse drug reaction. However, many unclear points on the mechanism of pathogenesis exist. Therefore, we have attempted to define hepatoma-inducing drugs by FAERS and developed a machine learning prediction model for these groups of drugs using chemical structure descriptors, mutagenicity, and agonist/antagonist activity against nuclear receptors and response pathways. By examining this prediction model, various chemical structures and bioactivity information related to the induction of liver cancer have been estimated.</p>
Journal
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- Annual Meeting of the Japanese Society of Toxicology
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Annual Meeting of the Japanese Society of Toxicology 47.1 (0), P-97S-, 2020
The Japanese Society of Toxicology
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Details 詳細情報について
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- CRID
- 1390567172568471296
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- NII Article ID
- 130007898514
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- Text Lang
- ja
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- Data Source
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- JaLC
- CiNii Articles
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- Abstract License Flag
- Disallowed