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Drug repositioning-a promising strategy for discovering new therapeutic uses for existing drugs-has been increasingly explored in the computational science literature using biomedical databases. However, the technological potential of drug…

Artificial Intelligence · Computer Science 2024-07-25 Yongseung Jegal , Jaewoong Choi , Jiho Lee , Ki-Su Park , Seyoung Lee , Janghyeok Yoon

Artificial intelligence has demonstrated immense potential in scientific research. Within molecular science, it is revolutionizing the traditional computer-aided paradigm, ushering in a new era of deep learning. With recent progress in…

Biomolecules · Quantitative Biology 2024-03-22 Yi Xiao , Xiangxin Zhou , Qiang Liu , Liang Wang

Background: Identification of the interactions and regulatory relations between biomolecules play pivotal roles in understanding complex biological systems and the mechanisms underlying diverse biological functions. However, the collection…

Computation and Language · Computer Science 2025-04-24 Gilchan Park , Byung-Jun Yoon , Xihaier Luo , Vanessa López-Marrero , Shinjae Yoo , Shantenu Jha

Estimating the health impacts of exposure to a mixture of chemicals poses many statistical challenges: multiple correlated exposure variables, moderate to high dimensionality, and possible nonlinear and interactive health effects of mixture…

Methodology · Statistics 2025-12-04 Nate Wiecha , Emily Griffith , Brian J. Reich , Jane A. Hoppin

Drug repositioning offers an effective solution to drug discovery, saving both time and resources by finding new indications for existing drugs. Typically, a drug takes effect via its protein targets in the cell. As a result, it is…

Quantitative Methods · Quantitative Biology 2018-11-26 Maryam Lotfi Shahreza , Nasser Ghadiri , Seyed Rasul Mossavi , Jaleh Varshosaz , James Green

We present a novel approach to visually locate bodies of research within the sciences, both at each moment of time and dynamically. This article describes how this approach fits with other efforts to locally and globally map scientific…

Digital Libraries · Computer Science 2009-12-22 Ismael Rafols , Alan L. Porter , Loet Leydesdorff

The emergence of large language models offers new possibilities for structured exploration of scientific knowledge. Rather than viewing scientific discovery as isolated ideas or content, we propose a structured approach that emphasizes the…

Artificial Intelligence · Computer Science 2025-04-15 Junlan Chen , Kexin Zhang , Daifeng Li , Yangyang Feng , Yuxuan Zhang , Bowen Deng

Artificial intelligence (AI)-driven methods can vastly improve the historically costly drug design process, with various generative models already in widespread use. Generative models for de novo drug design, in particular, focus on the…

Biomolecules · Quantitative Biology 2024-06-27 Xiangru Tang , Howard Dai , Elizabeth Knight , Fang Wu , Yunyang Li , Tianxiao Li , Mark Gerstein

Drug discovery remains a formidable challenge: more than 90 percent of candidate molecules fail in clinical evaluation, and development costs often exceed one billion dollars per approved therapy. Disparate data streams, from genomics and…

Artificial Intelligence · Computer Science 2025-04-28 Kevin Song , Andrew Trotter , Jake Y. Chen

As the field of Trust and Safety in digital spaces continues to grow, it has become increasingly necessary - but also increasingly complex - to collaborate on research across the academic, industry, governmental and non-governmental…

Computers and Society · Computer Science 2025-07-18 Amanda Menking , Mona Elswah , David J. Grüning , Lasse H. Hansen , Irene Huang , Julia Kamin , Catrine Normann

We consider high-dimensional regression over subgroups of observations. Our work is motivated by biomedical problems, where disease subtypes, for example, may differ with respect to underlying regression models, but sample sizes at the…

In drug discovery, mapping interactions between genes within cellular systems is a crucial early step. Such maps are not only foundational for understanding the molecular mechanisms underlying disease biology but also pivotal for…

Discovery gene-disease links is important in biology and medicine areas, enabling disease identification and drug repurposing. Machine learning approaches accelerate this process by leveraging biological knowledge represented in ontologies…

Machine Learning · Computer Science 2025-04-14 Catarina Canastra , Cátia Pesquita

Early detection of Alzheimer disease is crucial for deploying interventions and slowing the disease progression. A lot of machine learning and deep learning algorithms have been explored in the past decade with the aim of building an…

Image and Video Processing · Electrical Eng. & Systems 2022-09-26 Narotam Singh , Patteshwari. D , Neha Soni , Amita Kapoor

Alzheimer's disease has an increasing prevalence in the population world-wide, yet current diagnostic methods based on recommended biomarkers are only available in specialized clinics. Due to these circumstances, Alzheimer's disease is…

Quantitative Methods · Quantitative Biology 2023-12-07 Sophia Krix , Ella Wilczynski , Neus Falgàs , Raquel Sánchez-Valle , Eti Yoles , Uri Nevo , Kuti Baruch , Holger Fröhlich

Interdisciplinary research fuels innovation. In this paper, we examine the interdisciplinarity of research output driven by funding. Considering 36 major infectious diseases, we model interdisciplinarity through temporal correlation…

Social and Information Networks · Computer Science 2024-12-17 Anbang Du , Michael Head , Markus Brede

In the extensive recommender systems literature, novelty and diversity have been identified as key properties of useful recommendations. However, these properties have received limited attention in the specific sub-field of research paper…

Information Retrieval · Computer Science 2024-11-06 Eoghan Cunningham , Derek Greene , Barry Smyth

Alzheimer's Disease is challenging to diagnose due to our limited understanding of its mechanism and large heterogeneity among patients. Neurodegeneration is studied widely as a biomarker for clinical diagnosis, which can be measured from…

Machine Learning · Computer Science 2024-10-18 Rosemary He , Ichiro Takeuchi

Drug discovery is a complex process that involves sequentially screening and examining a vast array of molecules to identify those with the target properties. This process, also referred to as sequential experimentation, faces challenges…

Artificial Intelligence · Computer Science 2024-05-08 Jinghai He , Cheng Hua , Yingfei Wang , Zeyu Zheng

A complete understanding of the brain requires an integrated description of the numerous scales of neural organization. It means studying the interplay of genes, synapses, and even whole brain regions which ultimately leads to different…

Neurons and Cognition · Quantitative Biology 2022-08-09 Charley Presigny , Fabrizio De Vico Fallani