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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…

人工智能 · 计算机科学 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…

生物大分子 · 定量生物学 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…

计算与语言 · 计算机科学 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…

统计方法学 · 统计学 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…

定量方法 · 定量生物学 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…

数字图书馆 · 计算机科学 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…

人工智能 · 计算机科学 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…

生物大分子 · 定量生物学 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…

人工智能 · 计算机科学 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…

计算机与社会 · 计算机科学 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…

机器学习 · 计算机科学 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…

图像与视频处理 · 电气工程与系统科学 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…

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…

社会与信息网络 · 计算机科学 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…

信息检索 · 计算机科学 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…

机器学习 · 计算机科学 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…

人工智能 · 计算机科学 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…

神经元与认知 · 定量生物学 2022-08-09 Charley Presigny , Fabrizio De Vico Fallani