The Dataset of Herbal Combination Model Project

Traditional Chinese Medicine (TCM) utilizes intricate herbal formulations that exemplify the principles of compatibility and synergy. However, the rapid proliferation of herbal data has resulted in redundant information, complicating the understanding of their potential mechanisms. To address this issue, we first established a comprehensive database that encompasses 992 herbs, 18,681 molecules, and 2,168 targets. Consequently, we implemented a multi-network strategy based on a core information screening method to elucidate the highly intertwined relationships among the targets of various herbs and to refine herbal target information. Within a non-redundant network framework, separation and overlap analysis demonstrated that the networking of herbs preserves essential clinical information, including their properties, meridians, and therapeutic classifications. Furthermore, two notable trends emerged from the statistical analyses of classical TCM formulas: the separation of herbs and the overlap between herbs and diseases. This phenomenon is termed the Herbal Combination Model (HCM), validated through statistical analyses of two representative case studies: the common cold and rheumatoid arthritis. Additionally, in vivo and in vitro experiments with the new formula YanChuanQin (YHS - Corydalis Rhizoma, CW - Aconiti Radix, and QJ - Gentianae Macrophyllae Radix) for acute gouty arthritis further support the HCM. Overall, this computational method provides a systematic network strategy for exploring herbal combinations in complex and poorly understood diseases from a non-redundant perspective.中医药（Traditional Chinese Medicine, TCM）采用体现配伍与协同原则的复杂复方制剂。然而，本草数据的快速激增催生了大量冗余信息，使得对其潜在作用机制的阐释愈发复杂。为解决这一问题，本研究首先构建了一套涵盖992种草药、18681个分子以及2168个靶点的综合数据库。据此，本研究采用基于核心信息筛选方法的多网络策略，以阐明不同草药靶点间高度复杂的相互关联，并优化草药靶点信息。在非冗余网络框架下，分离与重叠分析结果显示，草药网络保留了其药性、归经及功效分类等核心临床信息。此外，对经典中医药方剂的统计分析揭示了两大显著趋势：草药的分离特性以及草药与疾病的重叠关联。这一现象被命名为草药组合模型（Herbal Combination Model, HCM），并通过对普通感冒与类风湿关节炎两项典型案例的统计分析得到验证。此外，针对急性痛风性关节炎的新方剂延川芩（YHS：延胡索Corydalis Rhizoma、CW：川乌Aconiti Radix、QJ：秦艽Gentianae Macrophyllae Radix）的体内外实验结果，进一步验证了HCM的合理性。综上，本研究提出的计算方法为从非冗余视角探索复杂且机制不明疾病中的草药组合提供了一套系统化的网络分析策略。