Design of deterministic screening experiments.

This paper presents an optimized preparation process for external ointment using the Definitive Screening Design (DSD) method. The ointment is a Traditional Chinese Medicine (TCM) formula developed by Professor WYH, a renowned TCM practitioner in Jiangsu Province, China, known for its proven clinical efficacy. In this study, a stepwise regression model was employed to analyze the relationship between key process factors (such as mixing speed and time) and rheological parameters. Machine learning techniques, including Monte Carlo simulation, decision tree analysis, and Gaussian process, were used for parameter optimization. Through rigorous experimentation and verification, we have successfully identified the optimal preparation process for WYH ointment. The optimized parameters included drug ratio of 24.5%, mixing time of 8 min, mixing speed of 1175 rpm, petroleum dosage of 79 g, liquid paraffin dosage of 6.7 g. The final ointment formulation was prepared using method B. This research not only contributes to the optimization of the WYH ointment preparation process but also provides valuable insights and practical guidance for designing the preparation processes of other TCM ointments. This advanced DSD method enhances the screening approach for identifying the best preparation process, thereby improving the scientific rigor and quality of TCM ointment preparation processes.

本研究采用确定性筛选设计（Definitive Screening Design，DSD）方法，优化了一款中药外用软膏的制备工艺。该软膏为中国江苏省知名中医药专家WYH教授研发的中药复方（Traditional Chinese Medicine，TCM）制剂，其临床疗效已得到证实。本研究采用逐步回归模型，分析了混合转速、混合时间等关键工艺因素与流变学参数之间的关联；并通过蒙特卡洛模拟（Monte Carlo simulation）、决策树分析、高斯过程（Gaussian process）等机器学习技术开展参数优化工作。经严谨的实验与验证，本研究成功确定了WYH软膏的最优制备工艺，优化后的参数包括：药物占比24.5%、混合时间8分钟、混合转速1175转每分钟、石油辅料用量79g、液体石蜡用量6.7g。最终的软膏制剂采用B法制备。本研究不仅优化了WYH软膏的制备工艺，还为其他中药软膏的制备工艺设计提供了宝贵的思路与实践指导。该先进的DSD方法完善了最优制备工艺的筛选流程，进而提升了中药软膏制备工艺的科学性与质量水准。