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Drug recommendation is an essential task in machine learning-based clinical decision support systems. However, the risk of drug-drug interactions (DDI) between co-prescribed medications remains a significant challenge. Previous studies have…

Machine Learning · Computer Science 2025-10-10 Chongmyung Kwon , Yujin Kim , Seoeun Park , Yunji Lee , Charmgil Hong

Therapeutic peptides represent a unique class of pharmaceutical agents crucial for the treatment of human diseases. Recently, deep generative models have exhibited remarkable potential for generating therapeutic peptides, but they only…

Quantitative Methods · Quantitative Biology 2024-01-05 Yongkang Wang , Xuan Liu , Feng Huang , Zhankun Xiong , Wen Zhang

Multimodal learning has exhibited a significant advantage in affective analysis tasks owing to the comprehensive information of various modalities, particularly the complementary information. Thus, many emerging studies focus on…

Artificial Intelligence · Computer Science 2024-04-09 Ying Zhou , Xuefeng Liang , Han Chen , Yin Zhao , Xin Chen , Lida Yu

Drug-drug interactions (DDIs) are a leading cause of preventable adverse events, often complicating treatment and increasing healthcare costs. At the same time, knowing which drugs do not interact is equally important, as such knowledge…

Machine Learning · Computer Science 2026-01-08 Maryam Abdollahi Shamami , Babak Teimourpour , Farshad Sharifi

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

In 3D action recognition, there exists rich complementary information between skeleton modalities. Nevertheless, how to model and utilize this information remains a challenging problem for self-supervised 3D action representation learning.…

Computer Vision and Pattern Recognition · Computer Science 2023-05-26 Yunyao Mao , Wengang Zhou , Zhenbo Lu , Jiajun Deng , Houqiang Li

Accurate segmentation of laryngo-pharyngeal tumors is crucial for precise diagnosis and effective treatment planning. However, traditional single-modality imaging methods often fall short of capturing the complex anatomical and pathological…

Image and Video Processing · Electrical Eng. & Systems 2025-08-26 Junhao Wu , Yun Li , Junhao Li , Jingliang Bian , Xiaomao Fan , Wenbin Lei , Ruxin Wang

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

Self-supervised learning (SSL) is a method that learns the data representation by utilizing supervision inherent in the data. This learning method is in the spotlight in the drug field, lacking annotated data due to time-consuming and…

Biomolecules · Quantitative Biology 2022-08-19 Kisung Moon , Sunyoung Kwon

Background: Drug-drug interactions (DDIs) refer to processes triggered by the administration of two or more drugs leading to side effects beyond those observed when drugs are administered by themselves. Due to the massive number of possible…

Quantitative Methods · Quantitative Biology 2020-12-25 Kyriakos Schwarz , Ahmed Allam , Nicolas Andres Perez Gonzalez , Michael Krauthammer

Many patients with chronic diseases resort to multiple medications to relieve various symptoms, which raises concerns about the safety of multiple medication use, as severe drug-drug antagonism can lead to serious adverse effects or even…

Machine Learning · Computer Science 2023-03-07 Tian Bian , Yuli Jiang , Jia Li , Tingyang Xu , Yu Rong , Yi Su , Timothy Kwok , Helen Meng , Hong Cheng

Drug-drug interactions (DDIs) are a major concern in clinical practice, as they can lead to reduced therapeutic efficacy or severe adverse effects. Traditional computational approaches often struggle to capture the complex relationships…

Machine Learning · Computer Science 2025-08-27 Hongbo Liu , Siyi Li , Zheng Yu

3D perception in LiDAR point clouds is crucial for a self-driving vehicle to properly act in 3D environment. However, manually labeling point clouds is hard and costly. There has been a growing interest in self-supervised pre-training of 3D…

Computer Vision and Pattern Recognition · Computer Science 2024-09-12 Mu Cai , Chenxu Luo , Yong Jae Lee , Xiaodong Yang

Accurately predicting molecular properties is a challenging but essential task in drug discovery. Recently, many mono-modal deep learning methods have been successfully applied to molecular property prediction. However, the inherent…

Machine Learning · Computer Science 2024-09-16 Xiaohua Lu , Liangxu Xie , Lei Xu , Rongzhi Mao , Shan Chang , Xiaojun Xu

Cross-modal text-molecule retrieval model aims to learn a shared feature space of the text and molecule modalities for accurate similarity calculation, which facilitates the rapid screening of molecules with specific properties and…

Information Retrieval · Computer Science 2024-11-01 Jia Song , Wanru Zhuang , Yujie Lin , Liang Zhang , Chunyan Li , Jinsong Su , Song He , Xiaochen Bo

The wide application of smart devices enables the availability of multimodal data, which can be utilized in many tasks. In the field of multimodal sentiment analysis (MSA), most previous works focus on exploring intra- and inter-modal…

Artificial Intelligence · Computer Science 2021-09-07 Sijie Mai , Ying Zeng , Shuangjia Zheng , Haifeng Hu

Minimizing adverse reactions caused by drug-drug interactions has always been a momentous research topic in clinical pharmacology. Detecting all possible interactions through clinical studies before a drug is released to the market is a…

Artificial Intelligence · Computer Science 2018-03-13 Meng Wang

Structure-based drug design (SBDD) is a critical task in drug discovery, requiring the generation of molecular information across two distinct modalities: discrete molecular graphs and continuous 3D coordinates. However, existing SBDD…

Computational Engineering, Finance, and Science · Computer Science 2025-03-28 Xiuyuan Hu , Guoqing Liu , Can Chen , Yang Zhao , Hao Zhang , Xue Liu

Drug-target interaction is fundamental in understanding how drugs affect biological systems, and accurately predicting drug-target affinity (DTA) is vital for drug discovery. Recently, deep learning methods have emerged as a significant…

Machine Learning · Computer Science 2024-12-30 Minghui Li , Zikang Guo , Yang Wu , Peijin Guo , Yao Shi , Shengshan Hu , Wei Wan , Shengqing Hu

When patients need to take medicine, particularly taking more than one kind of drug simultaneously, they should be alarmed that there possibly exists drug-drug interaction. Interaction between drugs may have a negative impact on patients or…

Computation and Language · Computer Science 2020-08-31 Siliang Tang , Qi Zhang , Tianpeng Zheng , Mengdi Zhou , Zhan Chen , Lixing Shen , Xiang Ren , Yueting Zhuang , Shiliang Pu , Fei Wu
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