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Related papers: MOD-Finder: Identify multi-omics data sets related…

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Recent years have seen a surge of novel neural network architectures for the integration of multi-omics data for prediction. Most of the architectures include either encoders alone or encoders and decoders, i.e., autoencoders of various…

Machine Learning · Computer Science 2023-02-15 Tony Hauptmann , Stefan Kramer

The rapid evolution of artificial intelligence in drug discovery encounters challenges with generalization and extensive training, yet Large Language Models (LLMs) offer promise in reshaping interactions with complex molecular data. Our…

Biomolecules · Quantitative Biology 2024-12-20 He Cao , Zijing Liu , Xingyu Lu , Yuan Yao , Yu Li

Multi-omics data is increasingly being utilized to advance computational methods for cancer classification. However, multi-omics data integration poses significant challenges due to the high dimensionality, data complexity, and distinct…

Genomics · Quantitative Biology 2024-10-10 Fadi Alharbi , Aleksandar Vakanski , Boyu Zhang , Murtada K. Elbashir , Mohanad Mohammed

Genomics, especially multi-omics, has made precision medicine feasible. The completion and publicly accessible multi-omics resource with clinical outcome, such as The Cancer Genome Atlas (TCGA) is a great test bed for developing…

Genomics · Quantitative Biology 2020-08-31 Lana X Garmire

PubMed's current search interface makes it tedious to systematically search for medical and research literature on drugs that could potentially be used to treat a given pathology, including patients with genetically altered tumors. This is…

Digital Libraries · Computer Science 2024-12-18 David Massart , Marc Zeicher

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…

Artificial Intelligence · Computer Science 2026-02-06 Zhe Wang , Zijing Liu , Chencheng Xu , Yuan Yao

Large language models (LLMs) have shown remarkable capabilities in general domains, but their application to multi-omics biology remains underexplored. To address this gap, we introduce Biology-Instructions, the first large-scale…

The effective visualization of genomic data is crucial for exploring and interpreting complex relationships within and across genes and genomes. Despite advances in developing dedicated bioinformatics software, common visualization tools…

Genomics · Quantitative Biology 2024-11-22 Thomas Hackl , Markus Ankenbrand , Bart van Adrichem , David Wilkins , Kristina Haslinger

Deep learning-based molecular generation models have shown great potential in efficiently exploring vast chemical spaces by generating potential drug candidates with desired properties. However, these models often produce chemically invalid…

Machine Learning · Computer Science 2025-11-19 Jun-Hyoung Park , Ho-Jun Song , Seong-Whan Lee

Marine object detection has gained prominence in marine research, driven by the pressing need to unravel oceanic mysteries and enhance our understanding of invaluable marine ecosystems. There is a profound requirement to efficiently and…

Computer Vision and Pattern Recognition · Computer Science 2023-10-04 Liang Haixin , Zheng Ziqiang , Ma Zeyu , Sai-Kit Yeung

The advancements in data acquisition, storage, and processing techniques have resulted in the rapid growth of heterogeneous medical data. Integrating radiological scans, histopathology images, and molecular information with clinical data is…

Machine Learning · Computer Science 2023-12-25 Aakash Tripathi , Asim Waqas , Kavya Venkatesan , Yasin Yilmaz , Ghulam Rasool

Motivation: Modules in gene coexpression networks (GCN) can be regarded as gene groups with individual relationships. No studies have optimized module detection methods to extract diverse gene groups from GCN, especially for data from…

Molecular Networks · Quantitative Biology 2021-12-07 Iori Azuma , Tadahaya Mizuno , Hiroyuki Kusuhara

Stereoisomers have the same molecular formula and the same atom connectivity and their existence can be related to the presence of different three-dimensional arrangements. Stereoisomerism is of great importance in many different fields…

Computational Engineering, Finance, and Science · Computer Science 2013-03-08 Ana L. Teixeira , João P. Leal , Andre O Falcao

Modular verification is a technique used to face the state explosion problem often encountered in the verification of properties of complex systems such as concurrent interactive systems. The modular approach is based on the observation…

Logic in Computer Science · Computer Science 2012-11-20 Peter Drábik , Andrea Maggiolo-Schettini , Paolo Milazzo

Metal-organic frameworks (MOFs) have been widely investigated for challenging catalytic transformations due to their well-defined structures and high degree of synthetic tunability. These features, at least in principle, make MOFs ideally…

Materials Science · Physics 2021-10-19 Andrew S. Rosen , Justin M. Notestein , Randall Q. Snurr

Background: Understanding the relationship between the Omics and the phenotype is a central problem in precision medicine. The high dimensionality of metabolomics data challenges learning algorithms in terms of scalability and…

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…

Developing computational tools for integrative analysis across multiple types of omics data has been of immense importance in cancer molecular biology and precision medicine research. While recent advancements have yielded integrative…

Recent remarkable success in the deep-learning industries has unprecedentedly increased the need for reliable model deployment. For example, the model should alert the user if the produced model outputs might not be reliable. Previous…

Computer Vision and Pattern Recognition · Computer Science 2023-12-27 Dasol Choi , Dongbin Na

The need for analysis of toxicity in new drug candidates and the requirement of doing it fast have asked the consideration of scientists towards the use of artificial intelligence tools to examine toxicity levels and to develop models to a…

Quantitative Methods · Quantitative Biology 2021-01-27 Mriganka Nath , Subhasish Goswami
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