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Updated: Jan 12, 2026

In Silico Modeling Method for Computational Aquatic Toxicology of Endocrine Disruptors: A Software-Based Approach Using QSAR Toolbox
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可解释的QSAR建模用于使用增强指纹和基于SHAP的特征选择进行免疫毒性预测.

D R Shin1, I H Song1, S K Lee1

  • 1Department of Chemistry, Hannam University, Daejeon, Republic of Korea.

SAR and QSAR in environmental research
|November 5, 2025
PubMed
概括

这项研究开发了一种新的可解释的定量结构-活性关系 (QSAR) 模型,以使用免疫细胞数据预测化学免疫抑制毒性. 该框架有助于早期识别有害化学物质,以实现更安全的药物开发和化学设计.

关键词:
在QSAR中使用QSAR.在XGBoost中使用.人类免疫细胞系的人类免疫细胞系.免疫抑制剂 免疫抑制剂免疫毒性 免疫毒性

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