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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…

机器学习 · 计算机科学 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…

定量方法 · 定量生物学 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…

人工智能 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 统计学 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.…

计算机视觉与模式识别 · 计算机科学 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…

图像与视频处理 · 电气工程与系统科学 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,…

定量方法 · 定量生物学 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…

生物大分子 · 定量生物学 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…

定量方法 · 定量生物学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 计算机科学 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…

信息检索 · 计算机科学 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…

人工智能 · 计算机科学 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…

人工智能 · 计算机科学 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…

计算工程、金融与科学 · 计算机科学 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…

机器学习 · 计算机科学 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…

计算与语言 · 计算机科学 2020-08-31 Siliang Tang , Qi Zhang , Tianpeng Zheng , Mengdi Zhou , Zhan Chen , Lixing Shen , Xiang Ren , Yueting Zhuang , Shiliang Pu , Fei Wu