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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…

Biomolecules · Quantitative Biology 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…

Human-Computer Interaction · Computer Science 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…

Chemical Physics · Physics 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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.…

Computer Vision and Pattern Recognition · Computer Science 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…

Artificial Intelligence · Computer Science 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…

Quantitative Methods · Quantitative Biology 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…

Machine Learning · Computer Science 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,…

Computational Engineering, Finance, and Science · Computer Science 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…

Machine Learning · Computer Science 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…

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…

Signal Processing · Electrical Eng. & Systems 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…

Applications · Statistics 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…

Signal Processing · Electrical Eng. & Systems 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…

Signal Processing · Electrical Eng. & Systems 2024-10-29 Praveen Kumar Pandian Shanmuganathan , Vatsal Sivaratri