Center for Computational Biology and Bioinformatics, School of Medicine, Indiana University, Indianapolis, IN, USA.
BMC Bioinformatics. 2013 Feb 1;14:35. doi: 10.1186/1471-2105-14-35.
Drug pharmacokinetics parameters, drug interaction parameters, and pharmacogenetics data have been unevenly collected in different databases and published extensively in the literature. Without appropriate pharmacokinetics ontology and a well annotated pharmacokinetics corpus, it will be difficult to develop text mining tools for pharmacokinetics data collection from the literature and pharmacokinetics data integration from multiple databases.
A comprehensive pharmacokinetics ontology was constructed. It can annotate all aspects of in vitro pharmacokinetics experiments and in vivo pharmacokinetics studies. It covers all drug metabolism and transportation enzymes. Using our pharmacokinetics ontology, a PK-corpus was constructed to present four classes of pharmacokinetics abstracts: in vivo pharmacokinetics studies, in vivo pharmacogenetic studies, in vivo drug interaction studies, and in vitro drug interaction studies. A novel hierarchical three level annotation scheme was proposed and implemented to tag key terms, drug interaction sentences, and drug interaction pairs. The utility of the pharmacokinetics ontology was demonstrated by annotating three pharmacokinetics studies; and the utility of the PK-corpus was demonstrated by a drug interaction extraction text mining analysis.
The pharmacokinetics ontology annotates both in vitro pharmacokinetics experiments and in vivo pharmacokinetics studies. The PK-corpus is a highly valuable resource for the text mining of pharmacokinetics parameters and drug interactions.
药物药代动力学参数、药物相互作用参数和药物遗传学数据在不同的数据库中采集得并不均衡,并且广泛发表在文献中。如果没有适当的药代动力学本体和经过良好注释的药代动力学语料库,那么从文献中收集药代动力学数据和从多个数据库中整合药代动力学数据的文本挖掘工具就很难开发出来。
构建了一个全面的药代动力学本体。它可以注释所有体外药代动力学实验和体内药代动力学研究的各个方面。它涵盖了所有的药物代谢和转运酶。使用我们的药代动力学本体,构建了一个 PK 语料库,以呈现四类药代动力学摘要:体内药代动力学研究、体内药代遗传学研究、体内药物相互作用研究和体外药物相互作用研究。提出并实施了一种新颖的三级分层注释方案,以标记关键词、药物相互作用句子和药物相互作用对。通过注释三个药代动力学研究,证明了药代动力学本体的实用性;通过药物相互作用提取文本挖掘分析,证明了 PK 语料库的实用性。
药代动力学本体注释了体外药代动力学实验和体内药代动力学研究。PK 语料库是药代动力学参数和药物相互作用文本挖掘的非常有价值的资源。