The term chemoinformatics was defined by F.K. Brown in 1998: "Chemoinformatics is the mixing of those information resources to transform data into information and information into knowledge for the intended purpose of making better decisions faster in the area of drug lead identification and optimization."
术语化学信息学（Cheminformatics）是1998年被F.K. 布朗定义的： 化学信息学是这些信息资源的混合，将数据转化为信息和信息转化为知识，以便在药物导向识别和优化领域更快地做出更好的决策。