Molecular Informatics is a peer-reviewed scientific journal published by Wiley VCH. It covers research in cheminformatics, quantitative structure–activity relationships, and combinatorial chemistry. It was established in 1981 as Quantitative Structure-Activity Relationships and renamed to QSAR & Combinatorial Science in 2003, before obtaining its present name in 2010. According to the Journal Citation Reports, the journal has a 2012 impact factor of 2.338.
　　《分子信息学》是威利VCH出版的一份同行评审的科学期刊。它涵盖了化学信息学、定量结构-活性关系和组合化学的研究。它成立于1981年作为定量结构-活动关系，2003年更名为QSAR&组合科学，2010年获得现在的名称。根据期刊引文报告，该杂志2012年的影响因子为2.338。