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相关论文: Enhanced Drug-drug Interaction Prediction Using Ad…

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In the last decades, people have been consuming and combining more drugs than before, increasing the number of Drug-Drug Interactions (DDIs). To predict unknown DDIs, recently, studies started incorporating Knowledge Graphs (KGs) since they…

人工智能 · 计算机科学 2023-08-14 Lizzy Farrugia , Lilian M. Azzopardi , Jeremy Debattista , Charlie Abela

In clinical treatment, identifying potential adverse reactions of drugs can help assist doctors in making medication decisions. In response to the problems in previous studies that features are high-dimensional and sparse, independent…

定量方法 · 定量生物学 2024-07-30 Yufeng Li , Wenchao Zhao , Bo Dang , Xu Yan , Weimin Wang , Min Gao , Mingxuan Xiao

We describe the accurate prediction of ligand-protein interaction (LPI) affinities, also known as drug-target interactions (DTI), with instruction fine-tuned pretrained generative small language models (SLMs). We achieved accurate…

机器学习 · 计算机科学 2024-07-02 Ben Fauber

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

Accurate and robust prediction of drug-target interactions (DTIs) plays a vital role in drug discovery. Despite extensive efforts have been invested in predicting novel DTIs, existing approaches still suffer from insufficient labeled data…

生物大分子 · 定量生物学 2023-12-27 Zhangli Lu , Chuqi Lei , Kaili Wang , Libo Qin , Jing Tang , Min Li

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

As a necessary process in drug development, finding a drug compound that can selectively bind to a specific protein is highly challenging and costly. Drug-target affinity (DTA), which represents the strength of drug-target interaction…

生物大分子 · 定量生物学 2023-12-18 Zhiqin Zhu , Zheng Yao , Guanqiu Qi , Neal Mazur , Baisen Cong

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…

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

Adverse drug interactions are largely preventable causes of medical accidents, which frequently result in physician and emergency room encounters. The detection of drug interactions in a lab, prior to a drug's use in medical practice, is…

机器学习 · 计算机科学 2023-02-08 Bar Vered , Guy Shtar , Lior Rokach , Bracha Shapira

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

Large Language Models (LLMs) have demonstrated remarkable success in various tasks such as natural language understanding, text summarization, and machine translation. However, their general-purpose nature often limits their effectiveness…

计算与语言 · 计算机科学 2025-09-03 Zirui Song , Bin Yan , Yuhan Liu , Miao Fang , Mingzhe Li , Rui Yan , Xiuying Chen

This paper investigates the role of dynamic external knowledge integration in improving counter-argument generation using Large Language Models (LLMs). While LLMs have shown promise in argumentative tasks, their tendency to generate…

计算与语言 · 计算机科学 2025-06-23 Anar Yeginbergen , Maite Oronoz , Rodrigo Agerri

Medical decision-making often involves integrating knowledge from multiple clinical specialties, typically achieved through multidisciplinary teams. Inspired by this collaborative process, recent work has leveraged large language models…

人工智能 · 计算机科学 2025-09-19 Xiao Wu , Ting-Zhu Huang , Liang-Jian Deng , Yanyuan Qiao , Imran Razzak , Yutong Xie

Retrieval-Augmented Large Language Models (LLMs), which incorporate the non-parametric knowledge from external knowledge bases into LLMs, have emerged as a promising approach to enhancing response accuracy in several tasks, such as…

计算与语言 · 计算机科学 2024-03-29 Soyeong Jeong , Jinheon Baek , Sukmin Cho , Sung Ju Hwang , Jong C. Park

Data augmentation is a widely used strategy to improve model robustness and generalization by enriching training datasets with synthetic examples. While large language models (LLMs) have demonstrated strong generative capabilities for this…

机器学习 · 计算机科学 2025-09-29 Dongkyu Cho , Miao Zhang , Rumi Chunara

Large Language Models (LLMs) have grown exponentially since the release of ChatGPT. These models have gained attention due to their robust performance on various tasks, including language processing tasks. These models achieve understanding…

计算与语言 · 计算机科学 2025-08-11 Ali Sarabadani , Maryam Abdollahi Shamami , Hamidreza Sadeghsalehi , Borhan Asadi , Saba Hesaraki

Accurate prediction of drug-target interactions (DTI) is pivotal for drug discovery, yet existing methods often fail to address challenges like cross-domain generalization, cold-start prediction, and interpretability. In this work, we…

多媒体 · 计算机科学 2025-10-23 Xiangyu Li , Haojie Yang , Kaimiao Hu , Runzhi Wu , Liangliang Liu , Ran Su

Large Vision-Language Models (LVLMs) have demonstrated impressive capabilities in multimodal tasks, but their performance is often constrained by the lack of external knowledge integration, limiting their ability to handle…

计算与语言 · 计算机科学 2025-01-16 Julian Perry , Surasakdi Siripong , Thanakorn Phonchai

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