AIMC Topic: Antiviral Agents
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Recent advances in drug repurposing using machine learning.
Current opinion in chemical biology
Jul 16, 2021
Drug repurposing aims to find new uses for already existing and approved drugs. We now provide a brief overview of recent developments in drug repurposing using machine learning alongside other computational approaches for comparison. We also highlig...
An Updated Review of Computer-Aided Drug Design and Its Application to COVID-19.
BioMed research international
Jun 24, 2021
The recent outbreak of the deadly coronavirus disease 19 (COVID-19) pandemic poses serious health concerns around the world. The lack of approved drugs or vaccines continues to be a challenge and further necessitates the discovery of new therapeutic ...
Prediction of African Swine Fever Virus Inhibitors by Molecular Docking-Driven Machine Learning Models.
Molecules (Basel, Switzerland)
Jun 11, 2021
African swine fever virus (ASFV) causes a highly contagious and severe hemorrhagic viral disease with high mortality in domestic pigs of all ages. Although the virus is harmless to humans, the ongoing ASFV epidemic could have severe economic conseque...
Active Learning and the Potential of Neural Networks Accelerate Molecular Screening for the Design of a New Molecule Effective against SARS-CoV-2.
BioMed research international
May 25, 2021
A global pandemic has emerged following the appearance of the new severe acute respiratory virus whose official name is the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), strongly affecting the health sector as well as the world econom...
Substrate Specificity
Protein Interaction Domains and Motifs
Thermodynamics
Gene Expression
Humans
Coronavirus 3C Proteases
Molecular Docking Simulation
Neural Networks, Computer
SARS-CoV-2
Drug Design
Antiviral Agents
Protein Binding
Biological Products
Kinetics
COVID-19 Drug Treatment
Catalytic Domain
Protease Inhibitors
Small Molecule Libraries
Protein Structure, Secondary
Machine learning techniques applied to the drug design and discovery of new antivirals: a brief look over the past decade.
Expert opinion on drug discovery
May 7, 2021
: Drug design and discovery of new antivirals will always be extremely important in medicinal chemistry, taking into account known and new viral diseases that are yet to come. Although machine learning (ML) have shown to improve predictions on the bi...
COVID-19 in the Age of Artificial Intelligence: A Comprehensive Review.
Interdisciplinary sciences, computational life sciences
Apr 22, 2021
The recent COVID-19 pandemic, which broke at the end of the year 2019 in Wuhan, China, has infected more than 98.52 million people by today (January 23, 2021) with over 2.11 million deaths across the globe. To combat the growing pandemic on urgent ba...
Biomedical Research
Computer-Aided Design
Drug Design
Drug Discovery
Severity of Illness Index
COVID-19
Decision Support Techniques
Prognosis
Clinical Decision-Making
Therapy, Computer-Assisted
Diagnosis, Computer-Assisted
Antiviral Agents
COVID-19 Testing
COVID-19 Drug Treatment
Humans
Artificial Intelligence
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...
Identification of SARS-CoV-2 viral entry inhibitors using machine learning and cell-based pseudotyped particle assay.
Bioorganic & medicinal chemistry
Mar 26, 2021
In response to the pandemic caused by SARS-CoV-2, we constructed a hybrid support vector machine (SVM) classification model using a set of publicly posted SARS-CoV-2 pseudotyped particle (PP) entry assay repurposing screen data to identify novel pote...
Host-dependent molecular factors mediating SARS-CoV-2 infection to gain clinical insights for developing effective targeted therapy.
Molecular genetics and genomics : MGG
Mar 20, 2021
Coronavirus disease 2019 (COVID-19), a recent viral pandemic that first began in December 2019, in Hunan wildlife market, Wuhan, China. The infection is caused by a coronavirus, SARS-CoV-2 and clinically characterized by common symptoms including fev...
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