Institute of Biomedical Engineering and Technology, Academy for Engineer and Technology, Fudan University, 220 Handan Road, Shanghai, 200433, China.
Shanghai Engineering Research Center of Ultra-precision Optical Manufacturing, Key Laboratory of Micro and Nano Photonic Structures (Ministry of Education), Green Photoelectron Platform, Department of Optical Science and Engineering, Fudan University, 220 Handan Road, Shanghai, 200433, China.
AAPS PharmSciTech. 2022 Jul 6;23(6):186. doi: 10.1208/s12249-022-02335-4.
Visible particle identification is a crucial prerequisite step for process improvement and control during the manufacturing of injectable biotherapeutic drug products. Raman spectroscopy is a technology with several advantages for particle identification including high chemical sensitivity, minimal sample manipulation, and applicability to aqueous solutions. However, considerable effort and experience are required to extract and interpret Raman spectral data. In this study, we applied machine learning algorithms to analyze Raman spectral data for visible particle identification in order to minimize expert support and improve data analysis accuracy. We manually prepared ten types of particle standard solutions to simulate the particle types typically observed during manufacturing and established a Raman spectral library with accurate peak assignments for the visible particles. Five classification algorithms were trained using visible particle Raman spectral data. All models had high prediction accuracy of >98% for all types of visible particles. Our results demonstrate that the combination of Raman spectroscopy and machine learning can provide a simple and accurate data analysis approach for visible particle identification.
可见粒子识别是注射用生物治疗药物产品制造过程中进行工艺改进和控制的关键前提步骤。拉曼光谱技术在粒子识别方面具有多项优势,包括高化学灵敏度、最小化样品处理以及适用于水溶液。然而,需要大量的努力和经验来提取和解释拉曼光谱数据。在这项研究中,我们应用机器学习算法来分析拉曼光谱数据,以实现可见粒子识别,从而减少专家支持并提高数据分析的准确性。我们手动制备了十种类型的粒子标准溶液来模拟制造过程中通常观察到的粒子类型,并为可见粒子建立了具有准确峰分配的拉曼光谱库。使用可见粒子拉曼光谱数据对五种分类算法进行了训练。所有模型对所有类型的可见粒子的预测准确率均>98%。我们的结果表明,拉曼光谱技术与机器学习的结合可以为可见粒子识别提供一种简单而准确的数据分析方法。