Journal of chemical information and modeling
Jul 14, 2025
A critical assessment of computational hit-finding experiments (CACHE) challenge was conducted to predict ligands for the SARS-CoV-2 Nsp13 helicase RNA binding site, a highly conserved COVID-19 target. Twenty-three participating teams comprised of co...
European journal of medicinal chemistry
Jul 5, 2025
Bioactivity optimization is a crucial and technical task in the early stages of drug discovery, traditionally carried out through iterative substituent optimization, a process that is often both time-consuming and expensive. To address this challenge...
Point-of-Care Testing (POCT) is rapidly increasing, providing quick, user-friendly, and portable diagnostic tools. Lateral flow assays (LFAs) have been central to POCT, administering fast and cost-effective diagnosis. However, traditional LFAs are li...
Discrete wavelet transforms have been applied in many machine learning models for the analysis of COVID-19; however, little is known about the impact of combined multilevel wavelet decompositions for the disease identification. This study proposes a ...
A machine learning integrated SERS sensing platform is developed for a single-shot, receptor-free, rapid detection and classification of five respiratory viruses including Influenza A, Respiratory Syncytial Virus (RSV), Human Rhinoviruses (Rhino), an...
Recurrent waves of viral infection necessitate vaccines and therapeutics that remain effective against emerging viruses. Our ability to evaluate interventions is currently limited to assessments against past or circulating variants, which likely diff...
Machine learning (ML) techniques have become powerful tools in both industrial and academic settings. Their ability to facilitate analysis of complex data and generation of predictive insights is transforming how scientific problems are approached ac...
Adeno-associated virus (AAV) is a non-enveloped DNA virus infecting a wide variety of species, tissues, and cell types, which is recognized as a safe and effective method for delivering therapeutic transgenes. AAV vector is the most popular viral gen...
PURPOSE: The surge of treatments for COVID-19 in the second quarter of 2020 had a low prevalence of treatment and high outcome risk. Motivated by that, we conducted a simulation study comparing disease risk scores (DRS) and propensity scores (PS) usi...
OBJECTIVES: Hospitalized community-acquired pneumonia (CAP) patients are admitted for ventilation, vasopressors, and renal replacement therapy (RRT). This study aimed to develop a machine learning (ML) model that predicts the need for such interventi...
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