药效学本体论描述框架及其可能的药物相互作用推理中的应用与发展
Development of Description Framework of Pharmacodynamics Ontology and Its Application to Possible Drug-drug Interaction Reasoning
关键词:医药;药效学;药物相互作用;本体论;知识表示
摘 要:Prediction of synergistic or antagonistic effects of drug-drug interaction (DDI) in vivo has been of considerable interest over the years. Formal representation of pharmacological knowledge such as ontology is indispensable for machine reasoning of possible DDIs. However, current pharmacology knowledge bases are not sufficient to provide formal representation of DDI information. With this background, this paper presents: (1) a description framework of pharmacodynamics ontology; and (2) a methodology to utilize pharmacodynamics ontology to detect different types of possible DDI pairs with supporting information such as underlying pharmacodynamics mechanisms. We also evaluated our methodology in the field of drugs related to noradrenaline signal transduction process and 11 different types of possible DDI pairs were detected. The main features of our methodology are the explanation capability of the reason for possible DDIs and the distin-guishability of different types of DDIs. These features will not only be useful for providing supporting information to pre-scribers, but also for large-scale monitoring of drug safety.