Application of computational toxicology at the early-stage of drug discovery
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- HARA Hideto
- Drug Safety Research and Evaluation, Takeda Pharmaceutical Company Limited
Bibliographic Information
- Other Title
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- 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
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- Annual Meeting of the Japanese Society of Toxicology
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Annual Meeting of the Japanese Society of Toxicology 48.1 (0), S19-5-, 2021
The Japanese Society of Toxicology
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Details 詳細情報について
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- CRID
- 1390289011244392832
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- NII Article ID
- 130008073948
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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