Zhang San-Mei, Lin Xiao, Hong Yan-Long, Feng Yi, Wu Fei
Engineering Research Center of Modern Preparation Technology of Traditional Chinese Medicine,Ministry of Education, Innovative Research Institute of Traditional Chinese Medicine, Shanghai University of Traditional Chinese Medicine Shanghai 201203, China.
Zhongguo Zhong Yao Za Zhi. 2024 Aug;49(16):4437-4449. doi: 10.19540/j.cnki.cjcmm.20240423.301.
Traditional Chinese medicine(TCM) placebos are simulated preparations for specific objects and the color simulation in the development of TCM placebos is both crucial and challenging. Traditionally, the prescription screening and pattern exploration process involves extensive experimentation, which is both time-consuming and labor-intensive. Therefore, accurate prediction of color simulation prescriptions holds the key to the development of TCM placebos. In this study, we efficiently and precisely predict the color simulation prescriptions of placebos using an image-based approach combined with Matlab software. Firstly, images of TCM placebo solutions are captured, and 13 chromaticity space values such as the L* a* b*, RGB, HSV, and CMYK values are extracted using Photoshop software. Correlation analysis and normalization are then performed on these extracted values to construct a 13×9×3 back propagation(BP) neural network model. Subsequently, the whale optimization algorithm(WOA) is employed to optimize the initial weights and thresholds of the BP neural network. Finally, the optimized WOA-BP neural network is validated using three representative instances. The training and prediction results indicate that, compared to the BP neural network, the WOA-BP neural network demonstrates superior performance in predicting the pigment ratios of placebos. The correlation coefficients for training, validation,testing, and the overall dataset are 0. 95, 0. 87, 0. 95, and 0. 95, respectively, approaching unity. Furthermore, all error values are reduced, with the maximum reduction reaching 99. 83%. The color difference(ΔE) values for the three validation instances are all less than 3, further confirming the accuracy and practicality of the WOA-BP neural network approach.
中药安慰剂是针对特定对象的模拟制剂,中药安慰剂研发中的颜色模拟既至关重要又具有挑战性。传统上,方剂筛选和模式探索过程涉及大量实验,既耗时又费力。因此,准确预测颜色模拟方剂是中药安慰剂研发的关键。在本研究中,我们使用基于图像的方法结合Matlab软件高效、精确地预测安慰剂的颜色模拟方剂。首先,采集中药安慰剂溶液的图像,并使用Photoshop软件提取13个色度空间值,如Lab*、RGB、HSV和CMYK值。然后对这些提取的值进行相关性分析和归一化,以构建一个13×9×3的反向传播(BP)神经网络模型。随后,采用鲸鱼优化算法(WOA)优化BP神经网络的初始权重和阈值。最后,使用三个代表性实例对优化后的WOA-BP神经网络进行验证。训练和预测结果表明,与BP神经网络相比,WOA-BP神经网络在预测安慰剂色素比例方面表现出更好的性能。训练、验证、测试和整个数据集的相关系数分别为0.95、0.87、0.95和0.95,接近1。此外,所有误差值均有所降低,最大降幅达到99.83%。三个验证实例的色差(ΔE)值均小于3,进一步证实了WOA-BP神经网络方法的准确性和实用性。