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Updated: Jun 4, 2025

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毒素预测器:用于预测分子毒性的计算模型

Mansi Goel1, Arav Amawate2, Angadjeet Singh2

  • 1Infosys Centre for Artificial Intelligence, Indraprastha Institute of Information Technology Delhi (IIIT-Delhi), New Delhi, 110020, India; Department of Computational Biology, Indraprastha Institute of Information Technology Delhi (IIIT-Delhi), New Delhi, 110020, India; Center of Excellence in Healthcare, Indraprastha Institute of Information Technology Delhi (IIIT-Delhi), New Delhi, 110020, India.

Chemosphere
|December 19, 2024
PubMed
概括

ToxinPredictor是一种新的机器学习模型,使用结构性质准确预测小分子毒性. 这种计算工具通过有效地识别潜在的毒素来帮助药物发现和环境安全.

关键词:
化学安全 化学安全 化学安全深度学习是一种深度学习.药物发现 药物发现功能选择 功能选择机器学习是机器学习.分子毒性预测分子毒性预测网络服务器 网络服务器

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