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Accurate prediction of compound-protein interactions (CPI) remains a cornerstone challenge in computational drug discovery. While existing sequence-based approaches leverage molecular fingerprints or graph representations, they critically…

Machine Learning · Computer Science 2025-04-08 Ngoc-Quang Nguyen

In this paper, a new method for PPI (proteinprotein interaction) prediction is proposed. In PPI prediction, a reliable and sufficient number of training samples is not available, but a large number of unlabeled samples is in hand. In the…

Machine Learning · Computer Science 2016-07-19 Amir Ahooye Atashin , Parsa Bagherzadeh , Kamaledin Ghiasi-Shirazi

Infections depend on interactions between pathogen and host proteins, but comprehensively mapping these interactions is challenging and labor intensive. Many biological networks have hierarchical, scale-free structure, so we developed a…

Molecular Networks · Quantitative Biology 2025-11-19 Xiaoqiong Xia , Cesar de la Fuente-Nunez

Protein-protein interactions are of great importance in biochemical processes. Accurate prediction of protein-protein interaction sites (PPIs) is crucial for our understanding of biological mechanism. Although numerous approaches have been…

Quantitative Methods · Quantitative Biology 2023-09-26 Jiaxing Guo , Xuening Zhu , Zixin Hu , Xiaoxi Hu

Protein-protein interactions (PPIs) are crucial in various biological processes and their study has significant implications for drug development and disease diagnosis. Existing deep learning methods suffer from significant performance…

Molecular Networks · Quantitative Biology 2023-05-16 Ziyuan Zhao , Peisheng Qian , Xulei Yang , Zeng Zeng , Cuntai Guan , Wai Leong Tam , Xiaoli Li

Predicting protein interactions is one of the more interesting challenges of the post-genomic era. Many algorithms address this problem as a binary classification problem: given two proteins represented as two vectors of features, predict…

Molecular Networks · Quantitative Biology 2011-11-01 Ossnat Bar-Shira , Gal Chechik

Protein-protein interactions (PPIs) are fundamental to cellular function and disease mechanisms. Current learning-based PPI predictors focus on learning powerful protein representations but neglect designing specialized classification…

Artificial Intelligence · Computer Science 2026-05-13 Ziqi Gao , Chenyi Zi , Zijing Liu , Ziqiao Meng , Yu Li , Jia Li

Protein-protein interaction (PPI) extraction from published scientific literature provides additional support for precision medicine efforts. Meanwhile, knowledge bases (KBs) contain huge amounts of structured information of protein…

Computation and Language · Computer Science 2019-12-12 Huiwei Zhou , Xuefei Li , Weihong Yao , Zhuang Liu , Shixian Ning , Chengkun Lang , Lei Du

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…

Computation and Language · Computer Science 2017-06-08 Yifan Peng , Zhiyong Lu

Protein-Protein Interactions (PPIs) perform essential roles in biological functions. Although some experimental techniques have been developed to detect PPIs, they suffer from high false positive and high false negative rates. Consequently,…

Quantitative Methods · Quantitative Biology 2017-12-29 Samaneh Aghajanbaglo , Sobhan Moosavi , Maseud Rahgozar , Amir Rahimi

Detection of protein-protein interactions (PPIs) plays a vital role in molecular biology. Particularly, infections are caused by the interactions of host and pathogen proteins. It is important to identify host-pathogen interactions (HPIs)…

Machine Learning · Computer Science 2019-03-26 Abdul Hannan Basit , Wajid Arshad Abbasi , Amina Asif , Fayyaz Ul Amir Afsar Minhas

Protein-protein interactions (PPIs) are critical for various biological processes, and understanding their dynamics is essential for decoding molecular mechanisms and advancing fields such as cancer research and drug discovery. Mutations in…

Biomolecules · Quantitative Biology 2023-09-26 Md Masud Rana , Duc Duy Nguyen

Protein-protein interactions (PPIs) are associated with various diseases, including cancer, infections, and neurodegenerative disorders. Obtaining three-dimensional structural information on these PPIs serves as a foundation to interfere…

Biomolecules · Quantitative Biology 2024-07-24 Xiaotong Xu , Alexandre M. J. J. Bonvin

Modeling the effects of mutations on the binding affinity plays a crucial role in protein engineering and drug design. In this study, we develop a novel deep learning based framework, named GraphPPI, to predict the binding affinity changes…

Biomolecules · Quantitative Biology 2021-09-15 Xianggen Liu , Yunan Luo , Sen Song , Jian Peng

Motivation: Exploring drug-protein interactions (DPIs) work as a pivotal step in drug discovery. The fast expansion of available biological data enables computational methods effectively assist in experimental methods. Among them, deep…

Machine Learning · Computer Science 2021-02-01 Yifan Wu , Min Gao , Min Zeng , Feiyang Chen , Min Li , Jie Zhang

Deep neural networks excel at comprehending complex visual signals, delivering on par or even superior performance to that of human experts. However, ad-hoc visual explanations of model decisions often reveal an alarming level of reliance…

Computer Vision and Pattern Recognition · Computer Science 2021-05-03 Dong Wang , Yuewei Yang , Chenyang Tao , Zhe Gan , Liqun Chen , Fanjie Kong , Ricardo Henao , Lawrence Carin

Deep learning-based computational methods have achieved promising results in predicting protein-protein interactions (PPIs). However, existing benchmarks predominantly focus on isolated pairwise evaluations, overlooking a model's capability…

Machine Learning · Computer Science 2025-10-23 Xinzhe Zheng , Hao Du , Fanding Xu , Jinzhe Li , Zhiyuan Liu , Wenkang Wang , Tao Chen , Wanli Ouyang , Stan Z. Li , Yan Lu , Nanqing Dong , Yang Zhang

Protein-protein interaction (PPI) networks consist of the physical and/or functional interactions between the proteins of an organism. Since the biophysical and high-throughput methods used to form PPI networks are expensive,…

Understanding how molecular alterations propagate across biological systems to drive disease remains a central challenge. Although high-throughput profiling enables comprehensive characterization of tumor states, most models neglect…

Quantitative Methods · Quantitative Biology 2026-05-11 Kyle Higgins , Guadalupe Gonzalez , Dennis Veselkov , Ivan Laponogov , Kirill Veselkov

Motivation: High-throughput experimental techniques have been producing more and more protein-protein interaction (PPI) data. PPI network alignment greatly benefits the understanding of evolutionary relationship among species, helps…

Data Structures and Algorithms · Computer Science 2016-04-13 Somaye Hashemifar , Qixing Huang , Jinbo XU