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Updated: May 14, 2025

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将学习转移到预测病毒误解突变:SARS-CoV-2的一个案例研究
Shaylyn Govender1, Emily Morgan1, Rabelani Ramahala1
1Research Unit in Bioinformatics (RUBi), Department of Biochemistry, Microbiology and Bioinformatics, Rhodes University, Makhanda 6139, South Africa.
Computational and structural biotechnology journal
|May 12, 2025
概括
转移学习成功地将在SARS-CoV-2主要蛋白酶上训练的机器学习模型应用于其他病毒蛋白,显示出预测突变和指导抗病毒进化药物开发的希望.
科学领域:
- 病毒学 病毒学
- 计算生物学 计算生物学
- 机器学习 机器学习
背景情况:
- 预测病毒突变对于打击耐药性和开发有效治疗方法至关重要.
- 使用动态残留网络 (DRN) 数据的机器学习 (ML) 模型此前已为SARS-CoV-2主蛋白酶 (Mpro) 突变开发.
研究的目的:
- 通过使用转移学习 (TL) 对不同SARS-CoV-2蛋白质的ML模型的概括性进行评估.
- 为预测病毒误解突变频率建立一个通用ML模型的基础.
主要方法:
- 采用转移学习 (TL) 方法,对其他SARS-CoV-2蛋白质 (NSP10,NSP16,PLpro,S蛋白) 测试Mpro训练的ML模型.
- 使用的动态残留网络 (DRN) 度量数据和现有突变数据.
- 使用相关系数 (R) 和p值评估模型性能.
主要成果:
- 在Mpro上训练的人工神经网络 (ANN) 和随机森林 (RF) 模型显示出与NSP10,NSP16和PLpro.com有很强的相关性.
- ANN 关于Mpro (0.564) 的R值与NSP10 (0.533),NSP16 (0.527) 和PLpro (0.464) 的值非常相匹配.
- 对于Mpro (0.673) 的射频频率值与NSP10 (0.457),NSP16 (0.460) 和PLpro (0.437) 的值相当.
- 对于尖峰 (S) 蛋白,没有观察到强烈的相关性.
- 统计学上显著的线性相关性被低的p值证实.
结论:
- 转移学习显示了在结构相关的病毒蛋白中对ML模型进行概括的潜力.
- 这项研究为预测病毒突变的通用ML模型提供了一个基本步骤.
- 这些发现支持使用DRN衍生ML模型来预测病毒蛋白中的突变频率.
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