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Related papers: ZeroDDI: A Zero-Shot Drug-Drug Interaction Event P…

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Drug-target interaction prediction (DTI) is essential in various applications including drug discovery and clinical application. There are two perspectives of input data widely used in DTI prediction: Intrinsic data represents how drugs or…

Machine Learning · Computer Science 2025-03-21 Xinlong Zhai , Chunchen Wang , Ruijia Wang , Jiazheng Kang , Shujie Li , Boyu Chen , Tengfei Ma , Zikai Zhou , Cheng Yang , Chuan Shi

Zero-shot learning (ZSL) aims to identify unseen classes with zero samples during training. Broadly speaking, present ZSL methods usually adopt class-level semantic labels and compare them with instance-level semantic predictions to infer…

Computer Vision and Pattern Recognition · Computer Science 2023-08-09 Zihan Ye , Guanyu Yang , Xiaobo Jin , Youfa Liu , Kaizhu Huang

As a necessary process in drug development, finding a drug compound that can selectively bind to a specific protein is highly challenging and costly. Drug-target affinity (DTA), which represents the strength of drug-target interaction…

Biomolecules · Quantitative Biology 2023-12-18 Zhiqin Zhu , Zheng Yao , Guanqiu Qi , Neal Mazur , Baisen Cong

Zero-shot learning (ZSL) aims to recognize unseen classes without visual instances. However, existing methods usually assume clean labels, overlooking real-world label noise and ambiguity, which degrades performance. To bridge this gap, we…

Computer Vision and Pattern Recognition · Computer Science 2026-04-21 Jiangnan Li , Linqing Huang , Xiaowen Yan , Min Gan , Wenpeng Lu , Jinfu Fan

Adverse drug-drug interactions (DDIs) remain a leading cause of morbidity and mortality. Identifying potential DDIs during the drug design process is critical for patients and society. Although several computational models have been…

Machine Learning · Computer Science 2019-11-21 Kexin Huang , Cao Xiao , Trong Nghia Hoang , Lucas M. Glass , Jimeng Sun

Drug-drug interactions pose a significant challenge in clinical pharmacology, with severe class imbalance among interaction types limiting the effectiveness of predictive models. Common interactions dominate datasets, while rare but…

Machine Learning · Computer Science 2025-10-31 Azmine Toushik Wasi

Identifying and discovering drug-target interactions(DTIs) are vital steps in drug discovery and development. They play a crucial role in assisting scientists in finding new drugs and accelerating the drug development process. Recently,…

Quantitative Methods · Quantitative Biology 2023-11-15 Wenting Ye , Chen Li , Yang Xie , Wen Zhang , Hong-Yu Zhang , Bowen Wang , Debo Cheng , Zaiwen Feng

Recent studies suggest that drug-drug interaction (DDI) prediction via computational approaches has significant importance for understanding the functions and co-prescriptions of multiple drugs. However, the existing silico DDI prediction…

Molecular Networks · Quantitative Biology 2024-08-29 Changjian Zhou , Xin Zhang , Jiafeng Li , Jia Song , Wensheng Xiang

Deep learning-based drug-target interaction (DTI) prediction methods have demonstrated strong performance; however, real-world applicability remains constrained by limited data diversity and modeling complexity. To address these challenges,…

In-silico prediction of repurposable drugs is an effective drug discovery strategy that supplements de-nevo drug discovery from scratch. Reduced development time, less cost and absence of severe side effects are significant advantages of…

Machine Learning · Computer Science 2021-02-23 Sk Mazharul Islam , Sk Md Mosaddek Hossain , Sumanta Ray

Deep learning has significantly improved the precision of instance segmentation with abundant labeled data. However, in many areas like medical and manufacturing, collecting sufficient data is extremely hard and labeling this data requires…

Computer Vision and Pattern Recognition · Computer Science 2021-06-02 Ye Zheng , Jiahong Wu , Yongqiang Qin , Faen Zhang , Li Cui

Complex or co-existing diseases are commonly treated using drug combinations, which can lead to higher risk of adverse side effects. The detection of polypharmacy side effects is usually done in Phase IV clinical trials, but there are still…

Machine Learning · Statistics 2019-05-03 Andreea Deac , Yu-Hsiang Huang , Petar Veličković , Pietro Liò , Jian Tang

Motivation: Predicting Drug-Target Interaction (DTI) is a well-studied topic in bioinformatics due to its relevance in the fields of proteomics and pharmaceutical research. Although many machine learning methods have been successfully…

Quantitative Methods · Quantitative Biology 2021-07-14 Haiyang Wang , Guangyu Zhou , Siqi Liu , Jyun-Yu Jiang , Wei Wang

Drug discovery remains a slow and expensive process that involves many steps, from detecting the target structure to obtaining approval from the Food and Drug Administration (FDA), and is often riddled with safety concerns. Accurate…

Quantitative Methods · Quantitative Biology 2025-08-22 Ali Vefghi , Zahed Rahmati , Mohammad Akbari

Drug-target interaction (DTI) prediction is a core task in drug development and precision medicine in the biomedical field. However, traditional machine learning methods generally have the black box problem, which makes it difficult to…

Quantitative Methods · Quantitative Biology 2025-04-30 Wenfeng Dai , Yanhong Wang , Shuai Yan , Qingzhi Yu , Xiang Cheng

Drug-drug interactions (DDI) can cause severe adverse drug reactions and pose a major challenge to medication therapy. Recently, informatics-based approaches are emerging for DDI studies. In this paper, we aim to identify key…

Quantitative Methods · Quantitative Biology 2019-12-09 Jianyuan Deng , Fusheng Wang

Zero-shot anomaly detection (ZSAD) enables identifying and localizing defects in unseen categories by relying solely on generalizable features rather than requiring any labeled examples of anomalies. However, existing ZSAD methods, whether…

Computer Vision and Pattern Recognition · Computer Science 2025-11-26 Zihan Wang , Samira Ebrahimi Kahou , Narges Armanfard

Thanks to the increasing availability of drug-drug interactions (DDI) datasets and large biomedical knowledge graphs (KGs), accurate detection of adverse DDI using machine learning models becomes possible. However, it remains largely an…

Machine Learning · Computer Science 2021-05-10 Yue Yu , Kexin Huang , Chao Zhang , Lucas M. Glass , Jimeng Sun , Cao Xiao

Zero-shot domain adaptation (ZSDA) is a category of domain adaptation problems where neither data sample nor label is available for parameter learning in the target domain. With the hypothesis that the shift between a given pair of domains…

Computer Vision and Pattern Recognition · Computer Science 2020-09-14 Jinghua Wang , Jianmin Jiang

Current Zero-Shot Learning (ZSL) approaches are restricted to recognition of a single dominant unseen object category in a test image. We hypothesize that this setting is ill-suited for real-world applications where unseen objects appear…

Computer Vision and Pattern Recognition · Computer Science 2019-04-12 Shafin Rahman , Salman Khan , Fatih Porikli