English
Related papers

Related papers: Enhanced Drug-drug Interaction Prediction Using Ad…

200 papers

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…

Artificial Intelligence · Computer Science 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…

Quantitative Methods · Quantitative Biology 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…

Machine Learning · Computer Science 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…

Quantitative Methods · Quantitative Biology 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…

Biomolecules · Quantitative Biology 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…

Machine Learning · Computer Science 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…

Biomolecules · Quantitative Biology 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…

Computation and Language · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Computation and Language · Computer Science 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…

Computation and Language · Computer Science 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…

Artificial Intelligence · Computer Science 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…

Computation and Language · Computer Science 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…

Machine Learning · Computer Science 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…

Computation and Language · Computer Science 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…

Multimedia · Computer Science 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…

Computation and Language · Computer Science 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…

Biomolecules · Quantitative Biology 2022-03-29 Zimeng Li , Shichao Zhu , Bin Shao , Tie-Yan Liu , Xiangxiang Zeng , Tong Wang