DAS-DDI: A dual-view framework with drug association and drug structure for drug-drug interaction prediction

被引:7
作者
Niu, Dongjiang [1 ]
Zhang, Lianwei [1 ]
Zhang, Beiyi [1 ]
Zhang, Qiang [1 ]
Li, Zhen [1 ]
机构
[1] Qingdao Univ, Coll Comp Sci & Technol, 308 NingXia Rd, Qingdao 266071, Shandong, Peoples R China
基金
中国国家自然科学基金;
关键词
Drug-drug interaction; Dual-view; Drug association; Substructure; INJECTION;
D O I
10.1016/j.jbi.2024.104672
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
In drug development and clinical application, drug-drug interaction (DDI) prediction is crucial for patient safety and therapeutic efficacy. However, traditional methods for DDI prediction often overlook the structural features of drugs and the complex interrelationships between them, which affect the accuracy and interpretability of the model. In this paper, a novel dual -view DDI prediction framework, DAS-DDI is proposed. Firstly, a drug association network is constructed based on similarity information among drugs, which could provide rich context information for DDI prediction. Subsequently, a novel drug substructure extraction method is proposed, which could update the features of nodes and chemical bonds simultaneously, improving the comprehensiveness of the feature. Furthermore, an attention mechanism is employed to fuse multiple drug embeddings from different views dynamically, enhancing the discriminative ability of the model in handling multi -view data. Comparative experiments on three public datasets demonstrate the superiority of DAS-DDI compared with other state-of-the-art models under two scenarios.
引用
收藏
页数:10
相关论文
共 39 条
[1]   COMPARISON OF THE MONOAMINE-OXIDASE INHIBITING PROPERTIES OF 2 REVERSIBLE AND SELECTIVE MONOAMINE OXIDASE-A INHIBITORS MOCLOBEMIDE AND TOLOXATONE, AND ASSESSMENT OF THEIR EFFECT ON PSYCHOMETRIC PERFORMANCE IN HEALTHY-SUBJECTS [J].
BERLIN, I ;
ZIMMER, R ;
THIEDE, HM ;
PAYAN, C ;
HERGUETA, T ;
ROBIN, L ;
PUECH, AJ .
BRITISH JOURNAL OF CLINICAL PHARMACOLOGY, 1990, 30 (06) :805-816
[2]   Extracting drug-drug interactions from no-blinding texts using key semantic sentences and GHM loss [J].
Chen, Jiacheng ;
Sun, Xia ;
Jin, Xin ;
Sutcliffe, Richard .
JOURNAL OF BIOMEDICAL INFORMATICS, 2022, 135
[3]   MUFFIN: multi-scale feature fusion for drug-drug interaction prediction [J].
Chen, Yujie ;
Ma, Tengfei ;
Yang, Xixi ;
Wang, Jianmin ;
Song, Bosheng ;
Zeng, Xiangxiang .
BIOINFORMATICS, 2021, 37 (17) :2651-2658
[4]   Bupivacaine liposome injectable suspension compared with bupivacaine HCl for the reduction of opioid burden in the postsurgical setting [J].
Dasta, Joseph ;
Ramamoorthy, Sonia ;
Patou, Gary ;
Sinatra, Raymond .
CURRENT MEDICAL RESEARCH AND OPINION, 2012, 28 (10) :1609-1615
[5]   A multimodal deep learning framework for predicting drug-drug interaction events [J].
Deng, Yifan ;
Xu, Xinran ;
Qiu, Yang ;
Xia, Jingbo ;
Zhang, Wen ;
Liu, Shichao .
BIOINFORMATICS, 2020, 36 (15) :4316-4322
[6]  
Duke JD, 2012, Literature based drug interaction prediction with clinical assessment using electronic medical records: novel myopathy associated drug interactions
[7]   Iron mediated toxicity and programmed cell death: A review and a re-examination of existing paradigms [J].
Eid, Rawan ;
Arab, Nagla T. T. ;
Greenwood, Michael T. .
BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR CELL RESEARCH, 2017, 1864 (02) :399-430
[8]   Pharmacokinetic Profile of Liposome Bupivacaine Injection Following a Single Administration at the Surgical Site [J].
Hu, DeeDee ;
Onel, Erol ;
Singla, Neil ;
Kramer, William G. ;
Hadzic, Admir .
CLINICAL DRUG INVESTIGATION, 2013, 33 (02) :109-115
[9]   Selective GABA-receptor actions of amobarbital on thalamic neurons [J].
Kim, HS ;
Wan, X ;
Mathers, DA ;
Puil, E .
BRITISH JOURNAL OF PHARMACOLOGY, 2004, 143 (04) :485-494
[10]  
Landrum G., 2013, RDKit: A software Suite for Cheminformatics, Computational Chemistry, and Predictive Modeling, V8, P5281