首页|心血管药物相互作用预测模型的建立与应用

心血管药物相互作用预测模型的建立与应用

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目的:预测潜在的心血管药物相互作用及可能的作用效果、强度、途径及机制,为临床合理用药提供参考.方法:以我国167种心血管药物为主体并采集其相互作用信息及相关药物属性,将收集到的数据运用C5.0、CHAID和类神经网络算法构建预测模型.结果:共采集真实药物相互作用数据38 390条,药物属性数据19 242条.关联模型预测得到"药物-属性"结果50条、"药物-药物"相互作用数据158条、"属性-属性"结果2条.C5.0模型预测出药效学作用效果322条、作用强度4 180条、作用途径3406条、作用机制4047条.预测发现的158条"药物-药物"相互作用数据通过DDinter、Drugbank进行验证,分别查找到20条及26条相互作用预测信息;药物相互作用效果、强度、途径、机制预测模型准确率分别达89.5%、81.0%、84.5%、77.5%.结论:两类模型能对我国上市药物的潜在相互作用及其效果、强度、途径、机制进行预测,预测结果具有一定可信度,可为开展潜在的药物相互作用实验室研究提供依据.
Establishment and application of cardiovascular drug interaction prediction model
OBJECTIVE To predict potential cardiovascular drug interactions and their possible effect,intensity,pathway and mechanism to provide references for rational drug dosing in clinical practices.METHODS The interaction information and related drug properties of 167 cardiovascular drugs in China were collected.C5.0,CHAID and neural network algorithm were uti-lized for constructing a prediction model.RESULTS A total of 38 390 real drug interaction and 19 242 drug attribute items were collected.The association model yielded 50"drug-attribute"results,158"drug-drug"interaction items and 2"attribute-attribute"results.C5.0 model yielded 322 pharmacodynamic effects,4 180 strengths,3 406 pathways and 4 047 mechanisms of action.A total of 158"drug-drug"interaction items were verified by DDinter and Drugbank and there were 20 and 26 interaction prediction information items.The accuracy of prediction model of drug interaction effect,intensity,pathway and mechanism was 89.5%,81.0%,84.5%and 77.5%respectively.CONCLUSION Two types of models may predict the potential drug interaction,its effect,intensity,pathway and mechanism.The prediction results are reliable so that it provides rationales for laboratory studies of potential drug interactions.

drug interactioncorrelation modelC5.0 modelcardiovascular drugsdata mining

尹凤、周海龙、徐帆

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大理大学药学院,云南大理 671000

中国人民解放军联勤保障部队第九二○医院,云南昆明 650100

药物相互作用 关联模型 C5.0模型 心血管药物 数据挖掘

云南省科技人才和平台计划

2017HB052

2024

中国医院药学杂志
中国药学会

中国医院药学杂志

CSTPCD北大核心
影响因子:1.198
ISSN:1001-5213
年,卷(期):2024.44(18)