International journal of pharmaceutics
Jul 25, 2025
Integrating artificial intelligence (AI) into drug discovery has revolutionized pharmaceutical innovation, addressing the challenges of traditional methods that are costly, time-consuming, and suffer from high failure rates. By utilizing machine lear...
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...
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...
The COVID-19 pandemic has initiated a global health emergency, with an exigent need for an effective cure. Progressively, drug repurposing is emerging as a promising solution for saving time, cost, and labor. However, the number of drug candidates th...
Conflicting results from randomized trials regarding the efficacy of remdesivir for COVID-19 have been reported. We aimed to develop a neural network (NN) to identify COVID-19 patients who would derive the greatest survival benefit from remdesivir. T...
BACKGROUND: The novel coronavirus pneumonia (COVID-19) outbreak in late 2019 killed millions worldwide. Coronaviruses cause diseases such as severe acute respiratory syndrome (SARS-CoV) and SARS-CoV-2. Many peptides in the host defense system have an...
Influenza and other respiratory viruses
Sep 1, 2024
INTRODUCTION: There is still a lack of clinical evidence comprehensively evaluating the effectiveness of antiviral treatments for COVID-19 hospitalized patients.
The international journal of tuberculosis and lung disease : the official journal of the International Union against Tuberculosis and Lung Disease
Sep 1, 2024
BACKGROUNDThe impact of severe COVID-19 pneumonia on healthcare systems highlighted the need for accurate predictions to improve patient outcomes. Despite the established efficacy of glucocorticoids (GCs), variable patient respons...
Over the period of the preceding decade, artificial intelligence (AI) has proved an outstanding performance in entire dimensions of science including pharmaceutical sciences. AI uses the concept of machine learning (ML), deep learning (DL), and neura...
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