中药多成分-多靶点相互作用数据集合

本数据集合系统收录了七味常用补益类中药材（熟地黄、当归、白芍、川芎、人参、黄芪、酸枣仁）的活性成分及其药理学参数。内容涵盖各成分的化学标识（如SMILES）、理化性质（分子量、脂溶性等）、药代动力学参数（口服生物利用度、渗透性、血脑屏障通过性等）、类药性评价以及潜在作用靶点信息。该数据适用于中药现代化研究、网络药理学分析、多靶点作用机制探索及活性成分筛选，为阐释中药复方“多成分-多靶点”整合调节作用提供系统的数据支撑。This integrated dataset system collects the active ingredients and pharmacological parameters of seven commonly used tonic traditional Chinese medicinal herbs, namely Prepared Rehmannia Root, Chinese Angelica Root, White Peony Root, Sichuan Lovage Rhizome, Ginseng, Astragalus Root, and Spine Date Seed. The dataset covers chemical identifiers (e.g., SMILES) of each ingredient, physicochemical properties (including molecular weight, lipophilicity, etc.), pharmacokinetic parameters (such as oral bioavailability, membrane permeability, blood-brain barrier penetration, etc.), drug-likeness evaluation, and information on potential action targets. This dataset is applicable to modernization research of traditional Chinese medicine, network pharmacology analysis, exploration of multi-target action mechanisms, and active ingredient screening, providing systematic data support for elucidating the integrated regulatory effects of traditional Chinese medicine compound prescriptions characterized by "multi-component and multi-target" actions.

搜集汇总

背景与挑战

背景概述

该数据集聚焦于中药多成分与多靶点之间的相互作用，属于网络药理学或化学信息学分析领域，旨在支持药物筛选和药理学研究。数据由企业生成，目前处于公示状态，反映了中药现代化研究中的数据驱动趋势。