Drug Discov Today Technol. 2013 Dec;10(4):e491-8. doi: 10.1016/j.ddtec.2012.06.003.
In chemoinformatics and drug design, fingerprints (FPs) are defined as string representations of molecular structure and properties and are popular descriptors for similarity searching. FPs are generally characterized by the simplicity of their design and ease of use. Despite a long history in chemoinformatics, the potential and limitations of FP searching are often not well under- stood. Standard FPs can also be subjected to engineering techniques to tune them for specific search applications.
在化学信息学和药物设计中，指纹（FPs）被定义为分子结构和性质的字符串表示形式，是用于相似性搜索的常用描述符。指纹通常具有设计简单和易于使用的特点。尽管在化学信息学领域有着悠久的历史，但指纹搜索的潜力和局限性往往没有得到很好的理解。标准指纹也可以采用工程技术进行调整，以适用于特定的搜索应用。
