OBJECTIVE: The digitization of paper electrocardiograms (ECGs) faces several challenges, including amplified errors during segmentation and signal extraction, severe noise interference, and poor generalization under complex conditions. To address the... read more
Successful compound optimization heavily relies on medicinal chemist expertise. In this work, we curated nearly 9000 molecular optimization strategies from the medicinal chemistry literature. Driven by expert knowledge, we constructed the MolOpt fram... read more
Journal of chemical information and modeling
Jan 30, 2026
Classical protein-ligand docking has been a cornerstone technique in computational drug discovery for decades but has reached an accuracy and performance plateau. Recently introduced Machine Learning (ML)-based docking methods offer a promising parad... read more
Accurate prediction of the pharmacokinetic (PK) properties of small-molecule drug candidates is a critical aspect of pharmaceutical research. Fast and reliable PK predictions can accelerate compound optimization cycles, reduce animal testing, and enh... read more
BACKGROUND: Venous thromboembolism (VTE) is a common and severe complication in intensive care unit (ICU) patients with sepsis. Conventional risk stratification tools lack sepsis-specific features and may inadequately capture complex, nonlinear inter... read more
Multiple sclerosis (Houndmills, Basingstoke, England)
Jan 30, 2026
BACKGROUND: Disability accrual in multiple sclerosis (MS) is highly variable and challenging to predict, complicating personalised care. Integrating machine learning (ML) with patient-reported outcomes (PROs) and clinician-assessed outcomes (CAOs) ma... read more
PURPOSE: The Novara Cohort Study (NCS) was established to investigate the biological, psychological and social factors that influence ageing in the general population. The study aims to identify early risk factors for frailty, allostatic load and cog... read more
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