中药有效组分配伍是当前开展中药现代化研究的重要模式，通过传统饮片活性组分分离及二次配伍以实现功效最大化。尽管有效组分配伍并不脱离原方的整体效应，但功效物质标准化即组分中药研究存在组分拆分简单而药性拆分困难的问题，因此需要明确组分样品库中各组分与其所属中药的性味离合关系。决定中药宏观药性的物质基础是其包含的微观化学成分，而基于化学信息学和知识发现的药性判别方法存在各自的局限性，真实客观的药性表征体系仍应回归到动态、可持续性定量反映药物与机体的相互作用结果的生物效应模型中去，在此基础上可以选择药少力专、基于药性组合的代表药对继而开展配伍组分的药性配伍规律研究，这对合理设计配伍组分及提高其有效性和安全性具有重大意义。

Effective components combination of Chinese materia medica (CMM) is an important model for study on the modernization of CMM. The maximum effectiveness could be obtained through the separation and secondary combination of the effective components in traditional processed pieces. Although the effective components combination does not break away from the overall effect of the original prescriptions, the effective components normalization, i.e. research on the effective components of CMM, faces the problems that is easy to decompose the components but hard to decompose the drug natures. Therefore, it needs to well define the relationship betweenthe separation and reunion of each component and itsCMM in sample library. The material basis for the CMM macroscopic drug naturesis precisely their microscopic chemical ingredient. However, there are some respective limitations to recognize the drug natures by chemoinformatics and knowledge discovery, a real and objective characterization system for the evaluation on the natures of CMMand their components should return to the biological effective modelswhich could dynamically and sustainably present the interaction between drugs and organism. Upon that, choosing the typical CMM pairs prescribed according to the theory of nature compatibility with afew herbs but remarkable efficacy to elucidate the mechanisms of natures compatibility by effective components combination will be beneficial to the scientific significance and security of effective components compatibility of CMM.

国家自然科学基金资助项目（81173174,81202655）；“十一五”科技支撑计划（2008BAI51B02）；教育部博士点基金（20113237110008）；江苏省自然科学基金资助项目（BK2010085,2010562）；江苏省国际合作项目（SBZ200900175）；江苏省教育厅重大专项（09KJA360002）；江苏省六大人才高峰课题A类第5批资助项目（08-A-012）；江苏省中药药效与安全性评价重点实验室开放课题（P09013）；江苏省普通高校研究生科研创新计划项目（2010-469,2010-471）；江苏高校优势学科建设工程资助项目（PAPD）