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Prediction of protein-ligand interactions (PLI) plays a crucial role in drug discovery as it guides the identification and optimization of molecules that effectively bind to target proteins. Despite remarkable advances in deep…

生物大分子 · 定量生物学 2023-07-18 Seokhyun Moon , Sang-Yeon Hwang , Jaechang Lim , Woo Youn Kim

Named-entity recognition (NER) is fundamental to extracting structured information from the >80% of healthcare data that resides in unstructured clinical notes and biomedical literature. Despite recent advances with large language models,…

计算与语言 · 计算机科学 2025-08-05 Maziyar Panahi

In recent years extracting relevant information from biomedical and clinical texts such as research articles, discharge summaries, or electronic health records have been a subject of many research efforts and shared challenges. Relation…

计算与语言 · 计算机科学 2016-07-01 Sunil Kumar Sahu , Ashish Anand , Krishnadev Oruganty , Mahanandeeshwar Gattu

Accurate prediction of drug-drug interactions (DDI) is crucial for medication safety and effective drug development. However, existing methods often struggle to capture structural information across different scales, from local functional…

机器学习 · 计算机科学 2026-03-27 Zimo Yan , Jie Zhang , Zheng Xie , Yiping Song , Hao Li

Automated relation extraction (RE) from biomedical literature is critical for many downstream text mining applications in both research and real-world settings. However, most existing benchmarking datasets for bio-medical RE only focus on…

计算与语言 · 计算机科学 2022-07-20 Ling Luo , Po-Ting Lai , Chih-Hsuan Wei , Cecilia N Arighi , Zhiyong Lu

Scientific literature contains a considerable amount of information that provides an excellent opportunity for developing text mining methods to extract biomedical relationships. An important type of information is the relationship between…

计算与语言 · 计算机科学 2023-08-08 Mohammad Dehghani , Behrouz Bokharaeian , Zahra Yazdanparast

The delivery of appropriate targeted therapies to cancer patients requires the complete analysis of the molecular profiling of tumors and the patient's clinical characteristics in the context of existing knowledge and recent findings…

计算与语言 · 计算机科学 2024-12-13 Ting He , Kory Kreimeyer , Mimi Najjar , Jonathan Spiker , Maria Fatteh , Valsamo Anagnostou , Taxiarchis Botsis

Biomedical queries have become increasingly prevalent in web searches, reflecting the growing interest in accessing biomedical literature. Despite recent research on large-language models (LLMs) motivated by endeavours to attain generalized…

计算与语言 · 计算机科学 2024-08-06 Ankan Mullick , Mukur Gupta , Pawan Goyal

We introduce ChemDisGene, a new dataset for training and evaluating multi-class multi-label document-level biomedical relation extraction models. Our dataset contains 80k biomedical research abstracts labeled with mentions of chemicals,…

计算与语言 · 计算机科学 2022-04-15 Dongxu Zhang , Sunil Mohan , Michaela Torkar , Andrew McCallum

State-of-the-art methods for protein-protein interaction (PPI) extraction are primarily feature-based or kernel-based by leveraging lexical and syntactic information. But how to incorporate such knowledge in the recent deep learning methods…

计算与语言 · 计算机科学 2017-06-08 Yifan Peng , Zhiyong Lu

Predicting unknown drug-drug interactions (DDIs) is crucial for improving medication safety. Previous efforts in DDI prediction have typically focused on binary classification or predicting DDI categories, with the absence of explanatory…

计算与语言 · 计算机科学 2024-09-10 Zhaoyue Sun , Jiazheng Li , Gabriele Pergola , Yulan He

The prediction of protein interactions (CPIs) is crucial for the in-silico screening step in drug discovery. Recently, many end-to-end representation learning methods using deep neural networks have achieved significantly better performance…

定量方法 · 定量生物学 2020-11-30 Jingtao Wang , Xi Li , Hua Zhang

Over the years several studies have demonstrated the ability to identify potential drug-drug interactions via data mining from the literature (MEDLINE), electronic health records, public databases (Drugbank), etc. While each one of these…

计算机与社会 · 计算机科学 2015-07-21 Juan M. Banda , Tobias Kuhn , Nigam H. Shah , Michel Dumontier

Rare diseases (RDs) are collectively common and affect 300 million people worldwide. Accurate phenotyping is critical for informing diagnosis and treatment, but RD phenotypes are often embedded in unstructured text and time-consuming to…

计算与语言 · 计算机科学 2024-06-28 Cathy Shyr , Yan Hu , Paul A. Harris , Hua Xu

Biological relation networks contain rich information for understanding the biological mechanisms behind the relationship of entities such as genes, proteins, diseases, and chemicals. The vast growth of biomedical literature poses…

计算与语言 · 计算机科学 2025-01-27 Po-Ting Lai , Chih-Hsuan Wei , Shubo Tian , Robert Leaman , Zhiyong Lu

The identification of drug-target interactions (DTI) is critical for drug discovery and repositioning, as it reveals potential therapeutic uses of existing drugs, accelerating development and reducing costs. However, most existing models…

机器学习 · 计算机科学 2025-07-22 Xiang Zhao , Ruijie Li , Qiao Ning , Shikai Guo , Hui Li , Qian Ma

The ongoing opioid crisis highlights the urgent need for novel therapeutic strategies that can be rapidly deployed. This study presents a novel approach to identify potential repurposable drugs for the treatment of opioid addiction, aiming…

分子网络 · 定量生物学 2025-09-25 Chunhuan Zhang , Sean Cottrell , Benjamin Jones , Yueying Zhu , Huahai Qiu , Bengong Zhang , Tianshou Zhou , Jian Jiang

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 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

The study of molecule-target interaction is quite important for drug discovery in terms of target identification, hit identification, pathway study, drug-drug interaction, etc. Most existing methodologies utilize either biomedical network…

机器学习 · 计算机科学 2023-02-07 Jinjiang Guo , Jie Li