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Gonadotrophin-releasing hormone receptor (GnRH1R) is a promising therapeutic target for the treatment of uterine diseases. To date, several GnRH1R antagonists are available in clinical investigation without satisfying multiple property…

生物大分子 · 定量生物学 2022-07-26 Song Li , Song Ke , Chenxing Yang , Jun Chen , Yi Xiong , Lirong Zheng , Hao Liu , Liang Hong

Despite recent advances in cancer treatments that prolong patients' lives, treatment-induced cardiotoxicity remains one severe side effect. The clinical decision-making of cardiotoxicity is challenging, as non-clinical symptoms can be…

人机交互 · 计算机科学 2025-03-04 Siyi Wu , Weidan Cao , Shihan Fu , Bingsheng Yao , Ziqi Yang , Changchang Yin , Varun Mishra , Daniel Addison , Ping Zhang , Dakuo Wang

Retrosynthesis is essential for designing synthetic pathways for complex molecules and can be revolutionized by AI to automate and accelerate chemical synthesis planning for drug discovery and materials science. Here, we propose a…

化学物理 · 物理学 2024-12-02 Seongeun Yun , Won Bo Lee

Atrial fibrillation (AF) is a leading cause of stroke and mortality, particularly in elderly patients. Wrist-worn photoplethysmography (PPG) enables non-invasive, continuous rhythm monitoring, yet suffers from significant vulnerability to…

机器学习 · 计算机科学 2025-11-04 Yangyang Zhao , Matti Kaisti , Olli Lahdenoja , Tero Koivisto

Cardiovascular disease (CVD) remains the leading cause of mortality worldwide, underscoring the need for reliable and efficient predictive tools that support early intervention. Traditional diagnostic approaches rely on handcrafted features…

机器学习 · 计算机科学 2025-12-17 Tejaswani Dash , Gautam Datla , Anudeep Vurity , Tazeem Ahmad , Mohd Adnan , Saima Rafi , Saisha Patro , Saina Patro

Medication errors continue to be the leading cause of avoidable patient harm in hospitals. This paper sets out a framework to assure medication safety that combines machine learning and safety engineering methods. It uses safety analysis to…

机器学习 · 计算机科学 2021-01-15 Yan Jia , Tom Lawton , John McDermid , Eric Rojas , Ibrahim Habli

Motivation: Drug repurposing is a viable solution for reducing the time and cost associated with drug development. However, thus far, the proposed drug repurposing approaches still need to meet expectations. Therefore, it is crucial to…

机器学习 · 计算机科学 2024-05-21 Ali Gharizadeh , Karim Abbasi , Amin Ghareyazi , Mohammad R. K. Mofrad , Hamid R. Rabiee

Quantifying sarcomere structure organization in human-induced pluripotent stem cell-derived cardiomyocytes (hiPSC-CMs) is crucial for understanding cardiac disease pathology, improving drug screening, and advancing regenerative medicine.…

计算机视觉与模式识别 · 计算机科学 2024-10-29 Huyen Le , Khiet Dang , Tien Lai , Nhung Nguyen , Mai Tran , Hieu Pham

Recent advancements in non-invasive detection of cardiac hemodynamic instability (CHDI) primarily focus on applying machine learning techniques to a single data modality, e.g. cardiac magnetic resonance imaging (MRI). Despite their…

Medication recommendation is a crucial task for assisting physicians in making timely decisions from longitudinal patient medical records. However, real-world EHR data present significant challenges due to the presence of rarely observed…

人工智能 · 计算机科学 2025-08-15 Yan Ting Chok , Soyon Park , Seungheun Baek , Hajung Kim , Junhyun Lee , Jaewoo Kang

Drug-target interaction (DTI) prediction is a core task in drug development and precision medicine in the biomedical field. However, traditional machine learning methods generally have the black box problem, which makes it difficult to…

定量方法 · 定量生物学 2025-04-30 Wenfeng Dai , Yanhong Wang , Shuai Yan , Qingzhi Yu , Xiang Cheng

This work showcases our team's (The BEEGees) contributions to the 2023 George B. Moody PhysioNet Challenge. The aim was to predict neurological recovery from coma following cardiac arrest using clinical data and time-series such as…

机器学习 · 计算机科学 2024-03-12 Felix H. Krones , Ben Walker , Guy Parsons , Terry Lyons , Adam Mahdi

Artificial intelligence-enhanced electrocardiogram (AI-ECG) has shown promise as an inexpensive, ubiquitous, and non-invasive screening tool to detect left ventricular systolic dysfunction in pediatric congenital heart disease. However,…

计算工程、金融与科学 · 计算机科学 2025-11-14 Yuting Yang , Lorenzo Peracchio , Joshua Mayourian , John K. Triedman , Timothy Miller , William G. La Cava

Developing new drugs for target diseases is a time-consuming and expensive task, drug repurposing has become a popular topic in the drug development field. As much health claim data become available, many studies have been conducted on the…

机器学习 · 计算机科学 2023-02-22 Yaobin Ling , Pulakesh Upadhyaya , Luyao Chen , Xiaoqian Jiang , Yejin Kim

Accurately predicting hospital readmission risks using electronic health records (EHRs) is critical for effective patient management and healthcare resource allocation. Patient populations in health systems are highly heterogeneous across…

统计方法学 · 统计学 2026-04-22 Ziren Jiang , Lingfeng Huo , Jue Hou , Mary Vaughan-Sarrazin , Maureen A. Smith , Jared D. Huling

Patients resuscitated from cardiac arrest who enter a coma are at high risk of death. Forecasting neurological outcomes of these patients (the task of neurological prognostication) could help with treatment decisions. In this paper, we…

信号处理 · 电气工程与系统科学 2023-12-04 Xiaobin Shen , Jonathan Elmer , George H. Chen

Machine learning has huge potential to revolutionize the field of drug discovery and is attracting increasing attention in recent years. However, lacking domain knowledge (e.g., which tasks to work on), standard benchmarks and data…

Medical studies for chronic disease are often interested in the relation between longitudinal risk factor profiles and individuals' later life disease outcomes. These profiles may typically be subject to intermediate structural changes due…

应用统计 · 统计学 2023-08-22 Sandra Keizer , Zhuozhao Zhan , Vasan S. Ramachandran , Edwin R. van den Heuvel

Electroencephalography (EEG) is a widely used non-invasive technique for monitoring brain activity, but low signal-to-noise ratios (SNR) due to various artifacts often compromise its utility. Conventional artifact removal methods require…

信号处理 · 电气工程与系统科学 2025-11-06 Shantanu Sarkar , Piotr Nabrzyski , Saurabh Prasad , Jose Luis Contreras-Vidal

Arrhythmias are irregularities in the hearts electrical system which cause rapid and irregular heartbeats. These heart conditions affect over 33 million people globally and significantly increase the risk of severe complications, including…

信号处理 · 电气工程与系统科学 2024-10-29 Praveen Kumar Pandian Shanmuganathan , Vatsal Sivaratri