AIMC Topic: Alanine
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Remdesivir associated with reduced mortality in hospitalized COVID-19 patients: treatment effectiveness using real-world data and natural language processing.
BMC infectious diseases
Apr 12, 2025
BACKGROUND: Remdesivir (RDV) was the first antiviral approved for mild-to-moderate COVID-19 and for those patients at risk for progression to severe disease after clinical trials supported its association with improved outcomes. Real-world evidence (...
Characterizing Public Sentiments and Drug Interactions in the COVID-19 Pandemic Using Social Media: Natural Language Processing and Network Analysis.
Journal of medical Internet research
Mar 5, 2025
BACKGROUND: While the COVID-19 pandemic has induced massive discussion of available medications on social media, traditional studies focused only on limited aspects, such as public opinions, and endured reporting biases, inefficiency, and long collec...
Enhanced Sampling of Biomolecular Slow Conformational Transitions Using Adaptive Sampling and Machine Learning.
Journal of chemical theory and computation
Sep 20, 2024
Biomolecular simulations often suffer from the "time scale problem", hindering the study of rare events occurring over extended time scales. Enhanced sampling techniques aim to alleviate this issue by accelerating conformational transitions, yet they...
Deep Transfer Learning Approach for Automatic Recognition of Drug Toxicity and Inhibition of SARS-CoV-2.
Viruses
Apr 2, 2021
Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) causes COVID-19 and is responsible for the ongoing pandemic. Screening of potential antiviral drugs against SARS-CoV-2 depend on in vitro experiments, which are based on the quantification ...
Machine Learning as a Precision-Medicine Approach to Prescribing COVID-19 Pharmacotherapy with Remdesivir or Corticosteroids.
Clinical therapeutics
Mar 29, 2021
PURPOSE: Coronavirus disease-2019 (COVID-19) continues to be a global threat and remains a significant cause of hospitalizations. Recent clinical guidelines have supported the use of corticosteroids or remdesivir in the treatment of COVID-19. However...
Discovering Collective Variables of Molecular Transitions via Genetic Algorithms and Neural Networks.
Journal of chemical theory and computation
Mar 4, 2021
With the continual improvement of computing hardware and algorithms, simulations have become a powerful tool for understanding all sorts of (bio)molecular processes. To handle the large simulation data sets and to accelerate slow, activated transitio...
Prediction of adverse drug reactions using drug convolutional neural networks.
Journal of bioinformatics and computational biology
Jan 20, 2021
Prediction of Adverse Drug Reactions (ADRs) has been an important aspect of Pharmacovigilance because of its impact in the pharma industry. The standard process of introduction of a new drug into a market involves a lot of clinical trials and tests. ...
Robosample: A rigid-body molecular simulation program based on robot mechanics.
Biochimica et biophysica acta. General subjects
Apr 13, 2020
BACKGROUND: Compared with all-atom molecular dynamics (MD), constrained MD methods allow for larger time steps, potentially reducing computational cost. For this reason, there has been continued interest in improving constrained MD algorithms to incr...
Using artificial neural network and multivariate calibration methods for simultaneous spectrophotometric analysis of Emtricitabine and Tenofovir alafenamide fumarate in pharmaceutical formulation of HIV drug.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Feb 23, 2019
Spectrophotometric analysis method based on artificial neural network (ANN), partial least squares regression (PLS) and principal component regression (PCR) models was proposed for the simultaneous determination of Emtricitabine (ETB) and Tenofovir a...
Tenofovir alafenamide versus tenofovir disoproxil fumarate for the treatment of patients with HBeAg-negative chronic hepatitis B virus infection: a randomised, double-blind, phase 3, non-inferiority trial.
The lancet. Gastroenterology & hepatology
Sep 22, 2016
BACKGROUND: The novel prodrug tenofovir alafenamide delivers the nucleotide reverse transcriptase inhibitor tenofovir to target cells more efficiently at a lower dose than tenofovir disoproxil fumarate, thereby reducing systemic exposure. We compared...
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