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Accurately predicting drug-drug interactions (DDI) for emerging drugs, which offer possibilities for treating and alleviating diseases, with computational methods can improve patient care and contribute to efficient drug development.…

Quantitative Methods · Quantitative Biology 2023-11-17 Yongqi Zhang , Quanming Yao , Ling Yue , Xian Wu , Ziheng Zhang , Zhenxi Lin , Yefeng Zheng

Traditional drug discovery processes are both time-consuming and require extensive professional expertise. With the accumulation of drug-target interaction (DTI) data from experimental studies, leveraging modern machine-learning techniques…

Quantitative Methods · Quantitative Biology 2024-12-12 Shuqi Li , Shufang Xie , Hongda Sun , Yuhan Chen , Tao Qin , Tianjun Ke , Rui Yan

Drug target binding affinity (DTA) is a key criterion for drug screening. Existing experimental methods are time-consuming and rely on limited structural and domain information. While learning-based methods can model sequence and structural…

Machine Learning · Computer Science 2024-06-26 Xi Xiao , Wentao Wang , Jiacheng Xie , Lijing Zhu , Gaofei Chen , Zhengji Li , Tianyang Wang , Min Xu

Drug-target interaction (DTI) prediction is a challenging, albeit essential task in drug repurposing. Learning on graph models have drawn special attention as they can significantly reduce drug repurposing costs and time commitment.…

The prediction modeling of drug-target interactions is crucial to drug discovery and design, which has seen rapid advancements owing to deep learning technologies. Recently developed methods, such as those based on graph neural networks…

Quantitative Methods · Quantitative Biology 2025-11-19 Xinnan Zhang , Jialin Wu , Junyi Xie , Tianlong Chen , Kaixiong Zhou

Fine-grained image classification (FGIC) is a challenging task in computer vision for due to small visual differences among inter-subcategories, but, large intra-class variations. Deep learning methods have achieved remarkable success in…

Computer Vision and Pattern Recognition · Computer Science 2024-04-02 Asish Bera , Debotosh Bhattacharjee , Mita Nasipuri

In the treatment of complex diseases, treatment regimens using a single drug often yield limited efficacy and can lead to drug resistance. In contrast, combination drug therapies can significantly improve therapeutic outcomes through…

Machine Learning · Computer Science 2026-04-24 Jiyan Song , Wenyang Wang , Chengcheng Yan , Zhiquan Han , Feifei Zhao

The development of deep neural networks has improved representation learning in various domains, including textual, graph structural, and relational triple representations. This development opened the door to new relation extraction beyond…

Computation and Language · Computer Science 2022-12-22 Masaki Asada

Autonomous driving demands accurate perception and safe decision-making. To achieve this, automated vehicles are now equipped with multiple sensors (e.g., camera, Lidar, etc.), enabling them to exploit complementary environmental context by…

Computer Vision and Pattern Recognition · Computer Science 2022-02-24 Xiaoming Zeng , Zhendong Wang , Yang Hu

Drug combinations can cause adverse drug-drug interactions(DDIs). Identifying specific effects is crucial for developing safer therapies. Previous works on DDI event prediction have typically been limited to using labels of specific events…

Biomolecules · Quantitative Biology 2024-11-05 Yingying Wang , Yun Xiong , Xixi Wu , Xiangguo Sun , Jiawei Zhang

Background: In silico drug-target interaction (DTI) prediction plays an integral role in drug repositioning: the discovery of new uses for existing drugs. One popular method of drug repositioning is network-based DTI prediction, which uses…

Artificial Intelligence · Computer Science 2017-11-02 Yiding Lu , Yufan Guo , Anna Korhonen

Drug similarity has been studied to support downstream clinical tasks such as inferring novel properties of drugs (e.g. side effects, indications, interactions) from known properties. The growing availability of new types of drug features…

Machine Learning · Computer Science 2018-05-01 Tengfei Ma , Cao Xiao , Jiayu Zhou , Fei Wang

Deep learning-based fine-grained network intrusion detection systems (NIDS) enable different attacks to be responded to in a fast and targeted manner with the help of large-scale labels. However, the cost of labeling causes insufficient…

Cryptography and Security · Computer Science 2023-08-02 Xinran Zheng , Shuo Yang , Xingjun Wang

Few-shot object detection (FSOD) aims at extending a generic detector for novel object detection with only a few training examples. It attracts great concerns recently due to the practical meanings. Meta-learning has been demonstrated to be…

Computer Vision and Pattern Recognition · Computer Science 2024-03-13 Zichen Wang , Bo Yang , Haonan Yue , Zhenghao Ma

Fine-grained visual classification can be addressed by deep representation learning under supervision of manually pre-defined targets (e.g., one-hot or the Hadamard codes). Such target coding schemes are less flexible to model inter-class…

Computer Vision and Pattern Recognition · Computer Science 2022-08-23 Kangjun Liu , Ke Chen , Kui Jia

Predicting drug-target interactions (DTI) is an essential part of the drug discovery process, which is an expensive process in terms of time and cost. Therefore, reducing DTI cost could lead to reduced healthcare costs for a patient. In…

Machine Learning · Computer Science 2019-08-20 Bonggun Shin , Sungsoo Park , Keunsoo Kang , Joyce C. Ho

Drug-target interaction (DTI) prediction is crucial for drug development and repositioning. Methods using heterogeneous graph neural networks (HGNNs) for DTI prediction have become a promising approach, with attention-based models often…

Biomolecules · Quantitative Biology 2024-11-05 Junwei Hu , Michael Bewong , Selasi Kwashie , Wen Zhang , Vincent M. Nofong , Guangsheng Wu , Zaiwen Feng

Accurate prediction of drug-target interactions is critical for advancing drug discovery. By reducing time and cost, machine learning and deep learning can accelerate this laborious discovery process. In a novel approach, BarlowDTI, we…

Biomolecules · Quantitative Biology 2024-10-15 Maximilian G. Schuh , Davide Boldini , Annkathrin I. Bohne , Stephan A. Sieber

In this research, we present our work participation for the DrugProt task of BioCreative VII challenge. Drug-target interactions (DTIs) are critical for drug discovery and repurposing, which are often manually extracted from the…

Computation and Language · Computer Science 2021-11-09 Jehad Aldahdooh , Ziaurrehman Tanoli , Jing Tang

Prediction of protein-ligand interactions (PLI) plays a crucial role in drug discovery as it guides the identification and optimization of molecules that effectively bind to target proteins. Despite remarkable advances in deep…

Biomolecules · Quantitative Biology 2023-07-18 Seokhyun Moon , Sang-Yeon Hwang , Jaechang Lim , Woo Youn Kim
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