Creaton of tablet database and visulalization of its internal structure

创建了片剂数据库，以便根据设计质量概念设计片剂处方。阐明了活性成分（API）对片剂性能（如抗张强度和崩解时限）的影响。在研究API的影响之前，根据扩展单纯形搜索优化片剂基础制剂（安慰剂片剂）。最佳安慰剂片剂显示出足够的硬度和快速崩解。将14种活性成分分别加入最佳安慰剂片剂中制备模型片剂，然后检查片剂性质，包括抗张强度和崩解时间。基于实验数据，集成人工神经网络进行一般回归分析。由此构建了活性成分的理化性质与片剂性质之间相关性的可靠模型。

A tablet database was created in order for designing tablet formulations based on the quality by design concept. The contribution of active ingredients (APIs) to tablet properties such as tensile strength and disintegration time was clarified. Before investigating effects of APIs, the tablet base formulation (placebo tablet) was optimized according to an expanded simplex search. The optimal placebo tablet showed sufficient hardness and rapid disintegration. Model tablets were prepared by incorporating each of 14 kinds of active ingredients into the optimal placebo tablet, and then examined the tablet properties, including tensile strength and disintegration time. Based on the experimental data, an ensemble artificial neural network incorporating general regression analysis was conducted. A reliable model of the correlation between the physicochemical properties of the active ingredients and the tablet properties was thus constructed.