Teng Tingting, Zhang Jingze, Miao Peiqi, Liang Lipeng, Song Xinbo, Liu Dailin, Zhang Junhua
National Key Laboratory of Modern Chinese Medicine Innovation and Manufacturing, Tianjin University of Traditional Chinese Medicine, Tianjin, 301617, China.
Tianjin Modern Innovation Chinese Medicine Technology Co., Ltd, Tianjin, 300380, China.
Chin Med. 2025 Apr 1;20(1):43. doi: 10.1186/s13020-024-01055-0.
With the development of new Chinese medicines and the need for clinical double-blind experiments, the use of placebos in Chinese medicine is becoming increasingly important. However, due to the diverse colors and complex color gamut of these particles, existing simulation methods rely on manual comparison and color mixing, leading to high subjectivity and errors. This study addresses this issue by developing a prediction model to accurately simulate the colors of Chinese medicine granules. In this study, 52 commercially available herbal particles were collected. And more than 320 simulated granules were prepared using fillers and four pigments (lemon yellow, carmine, indigo and caramel colors). Their RGB colors were collected using visible light imaging. A granule color prediction model was constructed by machine learning. First, the best clustering model was obtained by optimising the k-value of the Kmeans model. Subsequently, multiple regression models, including Gradient Boosting Regression (GBR), Support Vector Regression (SVR), and Random Forest, were evaluated through network search and cross-validation methods. Among these models, the average R of the random forest model reached 0.9249, outperforming other models. The prediction model accurately simulated the color of Chinese medicine granules, with an average color difference (ΔE) of 2.7734 and a high RGB value cosine similarity of 0.9999, alongside a 0.9366 similarity in artificial color scoring. This study introduces an innovative approach for the rapid and accurate prediction of granule colors, facilitating the development of clinically applicable placebos in traditional Chinese medicine.
随着中药新药的发展以及临床双盲实验的需求,安慰剂在中药中的应用变得越来越重要。然而,由于这些颗粒颜色多样且色域复杂,现有的模拟方法依赖人工比较和调色,导致主观性强且误差大。本研究通过开发一个预测模型来准确模拟中药颗粒的颜色,从而解决了这一问题。在本研究中,收集了52种市售的草药颗粒。并使用填充剂和四种色素(柠檬黄、胭脂红、靛蓝和焦糖色)制备了320多个模拟颗粒。利用可见光成像采集它们的RGB颜色。通过机器学习构建颗粒颜色预测模型。首先,通过优化Kmeans模型的k值获得最佳聚类模型。随后,通过网格搜索和交叉验证方法评估了包括梯度提升回归(GBR)、支持向量回归(SVR)和随机森林在内的多个回归模型。在这些模型中,随机森林模型的平均R值达到0.9249,优于其他模型。该预测模型准确模拟了中药颗粒的颜色,平均色差(ΔE)为2.7734,RGB值余弦相似度高达0.9999,人工颜色评分相似度为0.9366。本研究引入了一种创新方法,可快速准确地预测颗粒颜色,有助于开发临床上适用的中药安慰剂。