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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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

分子网络 · 定量生物学 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…

定量方法 · 定量生物学 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…

分子网络 · 定量生物学 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…

分子网络 · 定量生物学 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…

人工智能 · 计算机科学 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…

计算与语言 · 计算机科学 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…

计算与语言 · 计算机科学 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,…

定量方法 · 定量生物学 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)…

机器学习 · 计算机科学 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…

生物大分子 · 定量生物学 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…

生物大分子 · 定量生物学 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…

生物大分子 · 定量生物学 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…

机器学习 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

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…

定量方法 · 定量生物学 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…

数据结构与算法 · 计算机科学 2016-04-13 Somaye Hashemifar , Qixing Huang , Jinbo XU