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Genetic algorithms are a widely used method in chemometrics for extracting variable subsets with high prediction power. Most fitness measures used by these genetic algorithms are based on the ordinary least-squares fit of the resulting…

Computation · Statistics 2017-11-21 David Kepplinger , Peter Filzmoser , Kurt Varmuza

Protein interactions constitute the fundamental building block of almost every life activity. Identifying protein communities from Protein-Protein Interaction (PPI) networks is essential to understand the principles of cellular organization…

Social and Information Networks · Computer Science 2019-11-26 Jianguo Chen , Kenli Li , Kashif Bilal , Ahmed A. Metwally , Keqin Li , Philip S. Yu

Cellular functions are based on the complex interplay of proteins, therefore the structure and dynamics of these protein-protein interaction (PPI) networks are the key to the functional understanding of cells. In the last years, large-scale…

Molecular Networks · Quantitative Biology 2013-03-27 Yuliang Jin , Dmitrij Turaev , Thomas Weinmaier , Thomas Rattei , Hernan A. Makse

De novo peptide sequencing algorithms have been widely used in proteomics to analyse tandem mass spectra (MS/MS) and assign them to peptides, but quality-control methods to evaluate the confidence of de novo peptide sequencing are lagging…

Neural and Evolutionary Computing · Computer Science 2019-08-22 Samaneh Azari , Bing Xue , Mengjie Zhang , Lifeng Peng

Predicting protein-protein interactions (PPIs) by learning informative representations from amino acid sequences is a challenging yet important problem in biology. Although various deep learning models in Siamese architecture have been…

Machine Learning · Computer Science 2020-10-19 Kishan KC , Feng Cui , Anne Haake , Rui Li

Analogous to biological sequence comparison, comparing cellular networks is an important problem that could provide insight into biological understanding and therapeutics. For technical reasons, comparing large networks is computationally…

Molecular Networks · Quantitative Biology 2009-01-30 Natasa Przulj

We developed an explainable deep learning framework integrating protein-protein interaction (PPI) network centrality metrics with node embeddings for cancer therapeutic target prioritization. A high-confidence PPI network was constructed…

Quantitative Methods · Quantitative Biology 2025-11-26 Adham M. Alkhadrawi , Kyungsu Kim , Arif M. Rahman , Fahad Mushabbab G. Alotaibi

For the etiology, progression, and treatment of complex diseases, gene-environment (G-E) interactions have important implications beyond the main G and E effects. G-E interaction analysis can be more challenging with the higher…

Methodology · Statistics 2018-10-19 Mengyun Wu , Qingzhao Zhang , Shuangge Ma

Background:Typically, proteins perform key biological functions by interacting with each other. As a consequence, predicting which protein pairs interact is a fundamental problem. Experimental methods are slow, expensive, and may be error…

Biomolecules · Quantitative Biology 2022-02-08 Leonardo Martini , Adriano Fazzone , Luca Becchetti

Protein interaction networks (PINs) are often used to "learn" new biological function from their topology. Since current PINs are noisy, their computational de-noising via link prediction (LP) could improve the learning accuracy. LP uses…

Molecular Networks · Quantitative Biology 2013-07-15 Ryan W. Solava , Tijana Milenković

Self-supervised protein language models have proved their effectiveness in learning the proteins representations. With the increasing computational power, current protein language models pre-trained with millions of diverse sequences can…

Biomolecules · Quantitative Biology 2022-11-02 Ningyu Zhang , Zhen Bi , Xiaozhuan Liang , Siyuan Cheng , Haosen Hong , Shumin Deng , Jiazhang Lian , Qiang Zhang , Huajun Chen

In recent years, networks with higher-order interactions have emerged as a powerful tool to model complex systems. Comparing these higher-order systems remains however a challenge. Traditional similarity measures designed for pairwise…

Physics and Society · Physics 2026-02-24 Cosimo Agostinelli , Marco Mancastroppa , Alain Barrat

Hub genes play an essential role in biological systems because of their interaction with other genes. A vocabulary used in bioinformatics called Gene Ontology (GO) describes how genes and proteins operate. This flexible ontology illustrates…

Molecular Networks · Quantitative Biology 2023-09-11 Mamata Das , Selvakumar K. , P. J. A. Alphonse

Discovering patterns in networks of protein-protein interactions (PPIs) is a central problem in systems biology. Alignments between these networks aid functional understanding as they uncover important information, such as evolutionary…

Molecular Networks · Quantitative Biology 2014-11-04 Vladimir Gligorijević , Noël Malod-Dognin , Nataša Pržulj

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…

Computer Vision and Pattern Recognition · Computer Science 2023-10-27 Long-Huei Chen , Mohana Prasad Sathya Moorthy , Pratyaksh Sharma

Recent advances in Spatial Transcriptomics (ST) pair histology images with spatially resolved gene expression profiles, enabling predictions of gene expression across different tissue locations based on image patches. This opens up new…

Computer Vision and Pattern Recognition · Computer Science 2025-03-21 Aniruddha Ganguly , Debolina Chatterjee , Wentao Huang , Jie Zhang , Alisa Yurovsky , Travis Steele Johnson , Chao Chen

Living systems rely on coordinated molecular interactions, especially those related to gene expression and protein activity. The Unfolded Protein Response is a crucial mechanism in eukaryotic cells, activated when unfolded proteins exceed a…

Proteins congregate into complexes to perform fundamental cellular functions. Phenotypic outcomes, in health and disease, are often mechanistically driven by the remodeling of protein complexes by protein coding mutations or cellular…

Discovering disease pathways, which can be defined as sets of proteins associated with a given disease, is an important problem that has the potential to provide clinically actionable insights for disease diagnosis, prognosis, and…

Molecular Networks · Quantitative Biology 2017-12-05 Monica Agrawal , Marinka Zitnik , Jure Leskovec

Protein-protein interactions (PPIs) are crucial in regulating numerous cellular functions, including signal transduction, transportation, and immune defense. As the accuracy of multi-chain protein complex structure prediction improves, the…

Biomolecules · Quantitative Biology 2024-02-07 Chenqing Hua , Connor Coley , Guy Wolf , Doina Precup , Shuangjia Zheng