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Recent advances and achievements of artificial intelligence (AI) as well as deep and graph learning models have established their usefulness in biomedical applications, especially in drug-drug interactions (DDIs). DDIs refer to a change in…

Support and resistance (SR) levels are central to technical analysis, guiding traders in entry, exit, and risk management. Despite widespread use, traditional SR identification methods often fail to adapt to the complexities of modern,…

统计金融 · 定量金融 2025-07-04 Boris Kriuk , Logic Ng , Zarif Al Hossain

Drug combination therapy has become a increasingly promising method in the treatment of cancer. However, the number of possible drug combinations is so huge that it is hard to screen synergistic drug combinations through wet-lab…

机器学习 · 计算机科学 2021-07-07 J. Wang , X. Liu , S. Shen , L. Deng , H. Liu*

Drug-drug interaction (DDI) prediction provides a drug combination strategy for systemically effective treatment. Previous studies usually model drug information constrained on a single view such as the drug itself, leading to incomplete…

生物大分子 · 定量生物学 2022-03-29 Zimeng Li , Shichao Zhu , Bin Shao , Tie-Yan Liu , Xiangxiang Zeng , Tong Wang

The discovery of drug-target interactions (DTIs) plays a crucial role in pharmaceutical development. The deep learning model achieves more accurate results in DTI prediction due to its ability to extract robust and expressive features from…

机器学习 · 计算机科学 2024-04-17 Bin Liu , Siqi Wu , Jin Wang , Xin Deng , Ao Zhou

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…

定量方法 · 定量生物学 2025-08-22 Ali Vefghi , Zahed Rahmati , Mohammad Akbari

Predicting drug-target affinity is fundamental to virtual screening and lead optimization. However, existing deep models often suffer from representation collapse in stringent cold-start regimes, where the scarcity of labels and domain…

机器学习 · 统计学 2026-03-13 Yining Qian , Pengjie Wang , Yixiao Li , An-Yang Lu , Cheng Tan , Shuang Li , Lijun Liu

Motivation: Exploring drug-protein interactions (DPIs) work as a pivotal step in drug discovery. The fast expansion of available biological data enables computational methods effectively assist in experimental methods. Among them, deep…

机器学习 · 计算机科学 2021-02-01 Yifan Wu , Min Gao , Min Zeng , Feiyang Chen , Min Li , Jie Zhang

Computational models that accurately predict the binding affinity of an input protein-chemical pair can accelerate drug discovery studies. These models are trained on available protein-chemical interaction datasets, which may contain…

定量方法 · 定量生物学 2023-01-10 Rıza Özçelik , Alperen Bağ , Berk Atıl , Melih Barsbey , Arzucan Özgür , Elif Özkırımlı

Identification of drug-target interactions is an indispensable part of drug discovery. While conventional shallow machine learning and recent deep learning methods based on chemogenomic properties of drugs and target proteins have pushed…

In the study of drug function and precision medicine, identifying new drug-microbe associations is crucial. However, current methods isolate association and similarity analysis of drug and microbe, lacking effective inter-view optimization…

机器学习 · 计算机科学 2025-06-24 Xin An , Ruijie Li , Qiao Ning , Shikai Guo , Hui Li , Qian Ma

Drug synergy prediction is a critical task in the development of effective combination therapies for complex diseases, including cancer. Although existing methods have shown promising results, they often operate as black-box predictors that…

机器学习 · 计算机科学 2025-11-05 Yi Luo , Haochen Zhao , Xiao Liang , Yiwei Liu , Yuye Zhang , Xinyu Li , Jianxin Wang

Drug-Drug Interactions (DDIs) Extraction refers to the efforts to generate hand-made or automatic tools to extract embedded information from text and literature in the biomedical domain. Because of restrictions in hand-made efforts and…

信息检索 · 计算机科学 2019-08-01 Vahab Mostafapour , Oğuz Dikenelli

Accurate prediction of the binding affinity between drugs and target proteins is a core task in computer-aided drug design. Existing deep learning methods tend to ignore the information of internal sub-structural features of drug molecules…

生物大分子 · 定量生物学 2025-04-04 Jiannuo Li , Lan Yao

Drug-drug interaction (DDI) is a vital information when physicians and pharmacists intend to co-administer two or more drugs. Thus, several DDI databases are constructed to avoid mistakenly combined use. In recent years, automatically…

计算与语言 · 计算机科学 2017-05-19 Zibo Yi , Shasha Li , Jie Yu , Qingbo Wu

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…

机器学习 · 计算机科学 2024-06-26 Xi Xiao , Wentao Wang , Jiacheng Xie , Lijing Zhu , Gaofei Chen , Zhengji Li , Tianyang Wang , Min Xu

In recent years, employing layer attention to enhance interaction among hierarchical layers has proven to be a significant advancement in building network structures. In this paper, we delve into the distinction between layer attention and…

计算机视觉与模式识别 · 计算机科学 2024-06-21 Kaishen Wang , Xun Xia , Jian Liu , Zhang Yi , Tao He

Accurately predicting drug-target binding affinity (DTA) in silico is a key task in drug discovery. Most of the conventional DTA prediction methods are simulation-based, which rely heavily on domain knowledge or the assumption of having the…

机器学习 · 计算机科学 2020-04-06 Xuan Lin

The prevalence of employing attention mechanisms has brought along concerns on the interpretability of attention distributions. Although it provides insights about how a model is operating, utilizing attention as the explanation of model…

计算机视觉与模式识别 · 计算机科学 2022-09-16 Tristan Gomez , Suiyi Ling , Thomas Fréour , Harold Mouchère

The research explores the utilization of a deep learning model employing an attention mechanism in medical text mining. It targets the challenge of analyzing unstructured text information within medical data. This research seeks to enhance…

计算与语言 · 计算机科学 2024-06-04 Lingxi Xiao , Muqing Li , Yinqiu Feng , Meiqi Wang , Ziyi Zhu , Zexi Chen