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相关论文: ExDDI: Explaining Drug-Drug Interaction Prediction…

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Adverse drug-drug interactions~(DDIs) can compromise the effectiveness of concurrent drug administration, posing a significant challenge in healthcare. As the development of new drugs continues, the potential for unknown adverse effects…

计算与语言 · 计算机科学 2024-03-14 Fangqi Zhu , Yongqi Zhang , Lei Chen , Bing Qin , Ruifeng Xu

Background: Discovering potential drug-drug interactions (DDIs) is a long-standing challenge in clinical treatments and drug developments. Recently, deep learning techniques have been developed for DDI prediction. However, they generally…

机器学习 · 计算机科学 2024-03-20 Yaqing Wang , Zaifei Yang , Quanming Yao

Motivation: Computational prediction of multiple-type drug-drug interaction (DDI) helps reduce unexpected side effects in poly-drug treatments. Although existing computational approaches achieve inspiring results, they ignore that the…

机器学习 · 计算机科学 2021-12-07 Hui Yu , ShiYu Zhao , JianYu Shi

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

Drug-Drug Interactions (DDIs) significantly influence therapeutic efficacy and patient safety. As experimental discovery is resource-intensive and time-consuming, efficient computational methodologies have become essential. The predominant…

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

The increasing volume of drug combinations in modern therapeutic regimens needs reliable methods for predicting drug-drug interactions (DDIs). While Large Language Models (LLMs) have revolutionized various domains, their potential in…

机器学习 · 计算机科学 2025-02-12 Gabriele De Vito , Filomena Ferrucci , Athanasios Angelakis

Predicting and discovering drug-drug interactions (DDIs) using machine learning has been studied extensively. However, most of the approaches have focused on text data or textual representation of the drug structures. We present the first…

机器学习 · 计算机科学 2021-03-22 Devendra Singh Dhami , Siwen Yan , Gautam Kunapuli , David Page , Sriraam Natarajan

Drug-drug interaction (DDI) prediction is central to drug discovery and clinical development, particularly in the context of increasingly prevalent polypharmacy. Although existing computational methods achieve strong performance on standard…

机器学习 · 计算机科学 2026-01-23 Dong Xu , Jiantao Wu , Qihua Pan , Sisi Yuan , Zexuan Zhu , Junkai Ji

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

Drug-drug interactions (DDIs) arise when multiple drugs are administered concurrently. Accurately predicting the specific mechanisms underlying DDIs (named DDI events or DDIEs) is critical for the safe clinical use of drugs. DDIEs are…

生物大分子 · 定量生物学 2025-07-28 Ziyan Wang , Zhankun Xiong , Feng Huang , Wen Zhang

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…

生物大分子 · 定量生物学 2024-11-05 Yingying Wang , Yun Xiong , Xixi Wu , Xiangguo Sun , Jiawei Zhang

Drug-drug interaction (DDI) prediction is critical for treatment safety. While large language models (LLMs) show promise in pharmaceutical tasks, their effectiveness in DDI prediction remains challenging. Inspired by the well-established…

人工智能 · 计算机科学 2025-05-30 Guangyi Liu , Yongqi Zhang , Xunyuan Liu , Quanming Yao

Predicting and discovering drug-drug interactions (DDIs) is an important problem and has been studied extensively both from medical and machine learning point of view. Almost all of the machine learning approaches have focused on text data…

机器学习 · 计算机科学 2020-06-30 Devendra Singh Dhami , Siwen Yan , Gautam Kunapuli , David Page , Sriraam Natarajan

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

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

The use of multiple drugs accounts for almost 30% of all hospital admission and is the 5th leading cause of death in America. Since over 30% of all adverse drug events (ADEs) are thought to be caused by drug-drug interactions (DDI), better…

定量方法 · 定量生物学 2020-09-02 Ricky Wang

Drug-drug interaction (DDI) prediction is a critical task in computational biomedicine, as adverse interactions between co-administered drugs can cause severe side effects and clinical risks. A key challenge is unseen-drug generalization,…

机器学习 · 计算机科学 2026-05-15 Yerin Park , Sangseon Lee

Concomitant administration of drugs can cause drug-drug interactions (DDIs). Some drug combinations are beneficial, but other ones may cause negative effects which are previously unrecorded. Previous works on DDI prediction usually rely on…

人工智能 · 计算机科学 2022-08-26 Xinyu Zhu , Yongliang Shen , Weiming Lu

Detecting probable Drug Target Interaction (DTI) is a critical task in drug discovery. Conventional DTI studies are expensive, labor-intensive, and take a lot of time, hence there are significant reasons to construct useful computational…

定量方法 · 定量生物学 2022-10-24 Tanya Liyaqat , Tanvir Ahmad , Chandni Saxena
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