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Successive whole genome duplications have recently been firmly established in all major eukaryote kingdoms. It is not clear, however, how such dramatic evolutionary process has contributed to shape the large scale topology of…

Molecular Networks · Quantitative Biology 2007-05-23 K. Evlampiev , H. Isambert

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

Ontology-based approaches for predicting gene-disease associations include the more classical semantic similarity methods and more recently knowledge graph embeddings. While semantic similarity is typically restricted to hierarchical…

Machine Learning · Computer Science 2021-06-01 Susana Nunes , Rita T. Sousa , Catia Pesquita

Existing data-centric methods for protein science generally cannot sufficiently capture and leverage biology knowledge, which may be crucial for many protein tasks. To facilitate research in this field, we create ProteinKG65, a knowledge…

Quantitative Methods · Quantitative Biology 2022-11-15 Siyuan Cheng , Xiaozhuan Liang , Zhen Bi , Huajun Chen , Ningyu Zhang

Motivation: Biological data and knowledge bases increasingly rely on Semantic Web technologies and the use of knowledge graphs for data integration, retrieval and federated queries. In the past years, feature learning methods that are…

Quantitative Methods · Quantitative Biology 2017-05-01 Mona Alshahrani , Mohammed Asif Khan , Omar Maddouri , Akira R Kinjo , Núria Queralt-Rosinach , Robert Hoehndorf

Recent advances in AI for science have highlighted the power of contrastive learning in bridging heterogeneous biological data modalities. Building on this paradigm, we propose HIPPO (HIerarchical Protein-Protein interaction prediction…

Machine Learning · Computer Science 2025-08-05 Shiyi Liu , Buwen Liang , Yuetong Fang , Zixuan Jiang , Renjing Xu

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

Combining different modalities of data from human tissues has been critical in advancing biomedical research and personalised medical care. In this study, we leverage a graph embedding model (i.e VGAE) to perform link prediction on…

Genomics · Quantitative Biology 2021-07-27 Amine Amor , Pietro Lio' , Vikash Singh , Ramon Viñas Torné , Helena Andres Terre

Computationally predicting protein-protein interactions (PPIs) is challenging due to the lack of integrated, multimodal protein representations. DPEB is a curated collection of 22,043 human proteins that integrates four embedding types:…

Much of biomedical and healthcare data is encoded in discrete, symbolic form such as text and medical codes. There is a wealth of expert-curated biomedical domain knowledge stored in knowledge bases and ontologies, but the lack of reliable…

Artificial Intelligence · Computer Science 2020-06-25 David Chang , Ivana Balazevic , Carl Allen , Daniel Chawla , Cynthia Brandt , Richard Andrew Taylor

Proteins encode diverse functions within complex three-dimensional structures, yet most deep learning representations remain highly entangled, obscuring the biophysical signals that underlie function. Here we introduce ProtDiS, a…

Biomolecules · Quantitative Biology 2026-05-26 Mingqing Wang , Zhiwei Nie , Athanasios V. Vasilakos , Yonghong He , Zhixiang Ren

Word embeddings have been shown adept at capturing the semantic and syntactic regularities of the natural language text, as a result of which these representations have found their utility in a wide variety of downstream content analysis…

Computation and Language · Computer Science 2021-03-02 Kishlay Jha

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…

Quantitative Methods · Quantitative Biology 2018-08-10 Mahtab Ahmed , Jumayel Islam , Muhammad Rifayat Samee , Robert E. Mercer

The biomedical literature provides a rich source of knowledge such as protein-protein interactions (PPIs), drug-drug interactions (DDIs) and chemical-protein interactions (CPIs). Biomedical relation extraction aims to automatically extract…

Computation and Language · Computer Science 2019-01-21 Yijia Zhang , Zhiyong Lu

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

Compared to the general news domain, information extraction (IE) from biomedical text requires much broader domain knowledge. However, many previous IE methods do not utilize any external knowledge during inference. Due to the exponential…

Computation and Language · Computer Science 2021-06-02 Tuan Lai , Heng Ji , ChengXiang Zhai , Quan Hung Tran

Existing machine learning methods for molecular (e.g., gene) embeddings are restricted to specific tasks or data modalities, limiting their effectiveness within narrow domains. As a result, they fail to capture the full breadth of gene…

Recent research on predicting the binding affinity between drug molecules and proteins use representations learned, through unsupervised learning techniques, from large databases of molecule SMILES and protein sequences. While these…

Inferring the structural properties of a protein from its amino acid sequence is a challenging yet important problem in biology. Structures are not known for the vast majority of protein sequences, but structure is critical for…

Machine Learning · Computer Science 2019-10-17 Tristan Bepler , Bonnie Berger

Discovering mutations enhancing protein-protein interactions (PPIs) is critical for advancing biomedical research and developing improved therapeutics. While machine learning approaches have substantially advanced the field, they often…