基于1D-ResCNN-PLS的传统中医药剂量效应预测的优化方法
Wangping Xiong1, Jiasong Pan1, Zhaoyang Liu1
1School of Computer, Jiangxi University of Chinese Medicine, Nanchang, Jiangxi, China.
Computer methods in biomechanics and biomedical engineering
|October 24, 2024
概括
一个具有部分最小平方 (1D-ResCNN-PLS) 的新型一维残余卷积神经网络有效地模拟了传统中医学的非线性剂量效应关系. 与传统方法相比,这种方法显著提高了预测准确度,并减少了错误.
科学领域:
- 计算化学是一种计算化学.
- 药物指标 (Pharmacometrics) 是一个指标.
- 机器学习是机器学习.
背景情况:
- 传统中医药 (TCM) 的剂量效应数据经常表现出复杂的协差和非线性,挑战传统的分析模型.
- 对这些关系的准确建模对于理解药物疗效和优化治疗方案至关重要.
研究的目的:
- 开发和验证一种新的计算模型,即带有部分最小平方 (1D-ResCNN-PLS) 的一维残余卷积神经网络,用于分析TCM剂量效应数据.
- 解决传统方法在处理TCM药理数据中固有的非线性和共差方面的局限性.
主要方法:
- 实现1D卷积神经网络与残余块集成,以捕获数据中的复杂非线性特征.
- 集成部分最小平方 (PLS) 回归来进行可靠的预测,利用神经网络的特征提取能力.
- 使用Ma Xing Shi Gan Decoction数据集验证1D-ResCNN-PLS模型,将其性能与已建立的常规模型进行比较.
主要成果:
- 1D-ResCNN-PLS模型在Ma Xing Shi Gan Decoction数据集上表现出优于传统方法的性能.
- 实现了显著高的精度,灵敏度,特异性和曲线下的面积 (AUC) 值,表明强大的预测能力.
- 观察到平均平方误差 (MSE) 的实质性减少,突出了模型在剂量效应关系预测方面的效率.
结论:
- 1D-ResCNN-PLS模型对于处理非线性数据非常有效,特别是在传统中医药剂量效果关系的背景下.
- 该模型的成功表明其在分析各种公共领域复杂的生物和药理学数据集方面具有更广泛应用的潜力.
- 这种计算方法为定量药理学和数据驱动药物开发提供了有希望的进步.
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