基于人工智能和机器学习的方法来预测遗传损害.
Abhishek Tripathi1, Alisha1, Riya1
1Department of Computational Biology, Indraprastha Institute of Information Technology, New Delhi, India.
Methods in molecular biology (Clifton, N.J.)
|November 22, 2025
概括
遗传毒理学研究了病原体对遗传的有害影响. 人工智能 (AI) 和机器学习 (ML) 模型越来越多地用于预测基因毒性损害和评估药物开发风险.
科学领域:
- 药理学和毒理学 药理学和毒理学
- 计算化学的计算化学
- 遗传学 遗传学 是一个
背景情况:
- 遗传毒理学研究了物理和化学物质如何影响遗传物质.
- 基因毒性事件,如染色体异常,可能导致药物不良反应,变异性和致癌性.
- 一些用于治疗目的的药物已被发现可诱导基因毒性.
研究的目的:
- 为了分类用于量化基因毒性损害的测试,如艾姆斯测试.
- 详细阐述人工智能 (AI) 和机器学习 (ML) 预测遗传损伤的方法.
- 提供基因毒性预测工具,模型和评估指标的概述.
主要方法:
- 基因毒性试验的分类 (例如,艾姆斯试验).
- 对用于基因毒性预测的AI/ML模型的审查,包括定量结构-活动关系 (QSAR),机器学习 (ML) 和深度学习 (DL).
- 用各种分子描述符和指纹 (拓,静电,量子) 来进行预测建模.
主要成果:
- 人工智能模型,包括QSAR,ML和DL,在预测基因毒性损伤方面是有效的.
- 在基因毒性预测研究中使用各种分子描述符和指纹.
- 一个全面的模型和研究的数据表专注于基因毒性预测是可用的.
结论:
- 人工智能模型为评估基因毒性提供了一个有希望的方法.
- 对基因毒性风险的准确预测对于安全的药物开发至关重要.
- 计算方法的进步提高了对潜在的基因毒性剂的评估.
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