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Drug discovery remains time-consuming, labor-intensive, and expensive, often requiring years and substantial investment per drug candidate. Predicting compound-protein interactions (CPIs) is a critical component in this process, enabling…

人工智能 · 计算机科学 2026-02-06 Zhe Wang , Zijing Liu , Chencheng Xu , Yuan Yao

High-throughput protein interaction detection methods are strongly affected by false positive and false negative results. Focused experiments are needed to complement the large-scale methods by validating previously detected interactions…

分子网络 · 定量生物学 2007-05-23 Istvan Albert , Reka Albert

Protein-protein and protein nucleic acid interactions are vitally important for a wide range of biological processes, including regulation of gene expression, protein synthesis, and replication and assembly of many viruses. We have…

Identifying interactions between proteins is important to understand underlying biological processes. Extracting a protein-protein interaction (PPI) from the raw text is often very difficult. Previous supervised learning methods have used…

定量方法 · 定量生物学 2018-08-10 Mahtab Ahmed , Jumayel Islam , Muhammad Rifayat Samee , Robert E. Mercer

Biological networks provide insight into the complex organization of biological processes in a cell at the system level. They are an effective tool for understanding the comprehensive map of functional interactions, finding the functional…

分子网络 · 定量生物学 2017-09-14 Somaye Hashemifar

How and where proteins interface with one another can ultimately impact the proteins' functions along with a range of other biological processes. As such, precise computational methods for protein interface prediction (PIP) come highly…

定量方法 · 定量生物学 2021-10-08 Alex Morehead , Chen Chen , Ada Sedova , Jianlin Cheng

The protein-protein interaction (PPI) network provides an overview of the complex biological reactions vital to an organism's metabolism and survival. Even though in the past PPI network were compared across organisms in detail, there has…

计算机视觉与模式识别 · 计算机科学 2023-10-27 Long-Huei Chen , Mohana Prasad Sathya Moorthy , Pratyaksh Sharma

Accurately predicting the likelihood of interaction between two objects (compound-protein sequence, user-item, author-paper, etc.) is a fundamental problem in Computer Science. Current deep-learning models rely on learning accurate…

机器学习 · 计算机科学 2022-12-23 Apurva Kalia , Dilip Krishnan , Soha Hassoun

Drug-target interaction (DTI) prediction is a core task in drug development and precision medicine in the biomedical field. However, traditional machine learning methods generally have the black box problem, which makes it difficult to…

定量方法 · 定量生物学 2025-04-30 Wenfeng Dai , Yanhong Wang , Shuai Yan , Qingzhi Yu , Xiang Cheng

Protein-protein interactions are central mediators in many biological processes. Accurately predicting the effects of mutations on interactions is crucial for guiding the modulation of these interactions, thereby playing a significant role…

机器学习 · 计算机科学 2024-05-29 Yuanle Mo , Xin Hong , Bowen Gao , Yinjun Jia , Yanyan Lan

Summary: The development of automated servers to predict the three-dimensional structure of proteins has seen much progress over the years. These servers make modeling simpler, but largely exclude users from the process. We present an…

生物大分子 · 定量生物学 2017-02-08 Rowan Hatherley , David K. Brown , Özlem Tastan Bishop

Given the existing COVID-19 pandemic worldwide, it is critical to systematically study the interactions between hosts and coronaviruses including SARS-Cov, MERS-Cov, and SARS-CoV-2 (cause of COVID-19). We first created four host-pathogen…

While statistics focusses on hypothesis testing and on estimating (properties of) the true sampling distribution, in machine learning the performance of learning algorithms on future data is the primary issue. In this paper we bridge the…

机器学习 · 计算机科学 2009-12-30 Marcus Hutter

Interactions between proteins are hard to decipher. Protein-protein interactions are difficult problem to address because they are not based on differences in charge type like protein-DNA or protein-lipid interactions. In this manuscript we…

统计力学 · 物理学 2013-12-31 Ognjen Perišić

We report a 3D structure-based method of predicting protein-protein interaction partners. It involves screening for pairs of tetrahedra representing interacting amino acids at the interface of the protein-protein complex, with one…

生物大分子 · 定量生物学 2015-05-06 Vicente M. Reyes

Network theory has proven invaluable in unraveling complex protein interactions. Previous studies have employed statistical methods rooted in network theory, including the Gaussian graphical model, to infer networks among proteins,…

统计方法学 · 统计学 2026-05-07 Seungjun Ahn , Eun Jeong Oh

Molecular interactions have widely been modelled as networks. The local wiring patterns around molecules in molecular networks are linked with their biological functions. However, networks model only pairwise interactions between molecules…

分子网络 · 定量生物学 2018-09-21 Thomas Gaudelet , Noel Malod-Dognin , Natasa Przulj

Motivation: Protein-protein interactions (PPI) are critical to the function of proteins in both normal and diseased cells, and many critical protein functions are mediated by interactions.Knowledge of the nature of these interactions is…

计算与语言 · 计算机科学 2022-01-10 Aparna Elangovan , Melissa Davis , Karin Verspoor

Protein-protein interactions (PPIs) govern nearly all cellular processes, yet computational methods for identifying binding partners typically produce ranked predictions without mechanistic justification. This creates a fundamental barrier…

定量方法 · 定量生物学 2026-05-22 Kingsley Yeon , Xuefeng Liu , Promit Ghosal

Prediction-powered inference (PPI) is a method that improves statistical estimates based on limited human-labeled data. Specifically, PPI methods provide tighter confidence intervals by combining small amounts of human-labeled data with…

机器学习 · 计算机科学 2024-05-13 R. Alex Hofer , Joshua Maynez , Bhuwan Dhingra , Adam Fisch , Amir Globerson , William W. Cohen