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Simultaneous administration of multiple drugs can have synergistic or antagonistic effects as one drug can affect activities of other drugs. Synergistic effects lead to improved therapeutic outcomes, whereas, antagonistic effects can be…

Computation and Language · Computer Science 2017-08-15 Sunil Kumar Sahu , Ashish Anand

Traditional functional connectivity based on functional magnetic resonance imaging (fMRI) can only capture pairwise interactions between brain regions. Hypergraphs, which reveal high-order relationships among multiple brain regions, have…

Neurons and Cognition · Quantitative Biology 2025-05-20 Wenqi Hu , Xuerui Su , Guanliang Li , Yidi Pan , Aijing Lin

Protein interactions are important in a broad range of biological processes. Traditionally, computational methods have been developed to automatically predict protein interface from hand-crafted features. Recent approaches employ deep…

Machine Learning · Computer Science 2020-07-21 Yi Liu , Hao Yuan , Lei Cai , Shuiwang Ji

In Track-1 of the BioCreative VII Challenge participants are asked to identify interactions between drugs/chemicals and proteins. In-context named entity annotations for each drug/chemical and protein are provided and one of fourteen…

Computation and Language · Computer Science 2021-12-01 Virginia Adams , Hoo-Chang Shin , Carol Anderson , Bo Liu , Anas Abidin

Developing and discovering new drugs is a complex and resource-intensive endeavor that often involves substantial costs, time investment, and safety concerns. A key aspect of drug discovery involves identifying novel drug-target (DT)…

Machine Learning · Computer Science 2024-02-13 Rakesh Bal , Yijia Xiao , Wei Wang

Genome-wide protein-protein interaction (PPI) data are readily available thanks to recent breakthroughs in biotechnology. However, PPI networks of extant organisms are only snapshots of the network evolution. How to infer the whole…

Populations and Evolution · Quantitative Biology 2012-03-13 Si Li , Kwok Pui Choi , Taoyang Wu , Louxin Zhang

Protein-protein interactions drive many biological processes, including the detection of phytopathogens by plants' R-Proteins and cell surface receptors. Many machine learning studies have attempted to predict protein-protein interactions…

Machine Learning · Computer Science 2023-10-24 Ruth Veevers , Dan MacLean

We advance the state of the art in biomolecular interaction extraction with three contributions: (i) We show that deep, Abstract Meaning Representations (AMR) significantly improve the accuracy of a biomolecular interaction extraction…

Computation and Language · Computer Science 2015-12-08 Sahil Garg , Aram Galstyan , Ulf Hermjakob , Daniel Marcu

Document-Level Biomedical Relation Extraction (Bio-RE) aims to identify relations between biomedical entities within extensive texts, serving as a crucial subfield of biomedical text mining. Existing Bio-RE methods struggle with…

Computation and Language · Computer Science 2025-01-10 Yufei Shang , Yanrong Guo , Shijie Hao , Richang Hong

Over the last few years, several computational techniques have been devised to recover protein complexes from the protein interaction (PPI) networks of organisms. These techniques model "dense" subnetworks within PPI networks as complexes.…

Computational Engineering, Finance, and Science · Computer Science 2013-01-04 Sriganesh Srihari , Hon Wai Leong

Compound-Protein Interaction (CPI) prediction aims to predict the pattern and strength of compound-protein interactions for rational drug discovery. Existing deep learning-based methods utilize only the single modality of protein sequences…

Biomolecules · Quantitative Biology 2024-02-14 Lirong Wu , Yufei Huang , Cheng Tan , Zhangyang Gao , Bozhen Hu , Haitao Lin , Zicheng Liu , Stan Z. Li

Protein-protein interactions (PPIs) between a virus and its host govern infection, replication, and pathogenesis. While high-throughput mapping has identified thousands of virus-host associations, much of the virus-host interactome remains…

Predicting diseases solely from patient-side information, such as demographics and self-reported symptoms, has attracted significant research attention due to its potential to enhance patient awareness, facilitate early healthcare…

Artificial Intelligence · Computer Science 2025-12-10 Yibowen Zhao , Yinan Zhang , Zhixiang Su , Lizhen Cui , Chunyan Miao

Automatically extracting the relationships between chemicals and diseases is significantly important to various areas of biomedical research and health care. Biomedical experts have built many large-scale knowledge bases (KBs) to advance…

Computation and Language · Computer Science 2019-12-24 Huiwei Zhou , Yunlong Yang , Shixian Ning , Zhuang Liu , Chengkun Lang , Yingyu Lin , Degen Huang

Network theorists have developed methods to characterize the complex interactions in natural phenomena. The structure of the network of interactions between proteins is important in the field of proteomics, and has been subject to intensive…

Molecular Networks · Quantitative Biology 2016-09-07 Allan A. Zea , Antonio Rueda-Toicen

Objective: Medical relations are the core components of medical knowledge graphs that are needed for healthcare artificial intelligence. However, the requirement of expert annotation by conventional algorithm development processes creates a…

Machine Learning · Computer Science 2020-09-09 Yucong Lin , Keming Lu , Yulin Chen , Chuan Hong , Sheng Yu

Motivation: Peptide-protein interactions (PepPIs) are central to cellular regulation and peptide therapeutics, but experimental characterization remains too slow for large-scale screening. Existing methods usually emphasize either…

Machine Learning · Computer Science 2026-04-28 Chupei Tang , Junxiao Kong , Moyu Tang , Di Wang , Jixiu Zhai , Ronghao Xie , Shangkun Sima , Tianchi Lu

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…

Information Retrieval · Computer Science 2019-08-01 Vahab Mostafapour , Oğuz Dikenelli

Protein representation learning plays a crucial role in understanding the structure and function of proteins, which are essential biomolecules involved in various biological processes. In recent years, deep learning has emerged as a…

Biomolecules · Quantitative Biology 2024-03-11 Bozhen Hu , Cheng Tan , Lirong Wu , Jiangbin Zheng , Jun Xia , Zhangyang Gao , Zicheng Liu , Fandi Wu , Guijun Zhang , Stan Z. Li

In the big data era, the relationship between entries becomes more and more complex. Many graph (or network) algorithms have already paid attention to dynamic networks, which are more suitable than static ones for fitting the complex…

Machine Learning · Computer Science 2022-11-17 Dongqi Fu , Jingrui He