AIMC Topic: Antiviral Agents
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F-CPI: A Multimodal Deep Learning Approach for Predicting Compound Bioactivity Changes Induced by Fluorine Substitution.
Journal of medicinal chemistry
Dec 20, 2024
Fluorine (F) substitution is a common method of drug discovery and development. However, there are no accurate approaches available for predicting the bioactivity changes after F-substitution, as the effect of substitution on the interactions between...
A Machine Learning Model to Predict De Novo Hepatocellular Carcinoma Beyond Year 5 of Antiviral Therapy in Patients With Chronic Hepatitis B.
Liver international : official journal of the International Association for the Study of the Liver
Dec 18, 2024
BACKGROUND AND AIMS: This study aims to develop and validate a machine learning (ML) model predicting hepatocellular carcinoma (HCC) in chronic hepatitis B (CHB) patients after the first 5 years of entecavir (ETV) or tenofovir (TFV) therapy.
Rapid Deployment of Antiviral Drugs Using Single-Virus Tracking and Machine Learning.
ACS nano
Dec 18, 2024
The outbreak of emerging acute viral diseases urgently requires the acceleration of specialized antiviral drug development, thus widely adopting phenotypic screening as a strategy for drug repurposing in antiviral research. However, traditional pheno...
Generative Adversarial Network-Based Augmentation With Noval 2-Step Authentication for Anti-Coronavirus Peptide Prediction.
IEEE/ACM transactions on computational biology and bioinformatics
Dec 10, 2024
The virus poses a longstanding and enduring danger to various forms of life. Despite the ongoing endeavors to combat viral diseases, there exists a necessity to explore and develop novel therapeutic options. Antiviral peptides are bioactive molecules...
Deep learning pipeline for accelerating virtual screening in drug discovery.
Scientific reports
Nov 16, 2024
In the race to combat ever-evolving diseases, the drug discovery process often faces the hurdles of high-cost and time-consuming procedures. To tackle these challenges and enhance the efficiency of identifying new therapeutic agents, we introduce Vir...
Pred-AHCP: Robust Feature Selection-Enabled Sequence-Specific Prediction of Anti-Hepatitis C Peptides via Machine Learning.
Journal of chemical information and modeling
Nov 6, 2024
Every year, an estimated 1.5 million people worldwide contract Hepatitis C, a significant contributor to liver problems. Although many studies have explored machine learning's potential to predict antiviral peptides, very few have addressed the probl...
Screening for Potential Antiviral Compounds from Cyanobacterial Secondary Metabolites Using Machine Learning.
Marine drugs
Nov 5, 2024
The secondary metabolites of seawater and freshwater blue-green algae are a rich natural product pool containing diverse compounds with various functions, including antiviral compounds; however, high-efficiency methods to screen such compounds are la...
Machine-Learning Approach to Identify Potential Dengue Virus Protease Inhibitors: A Computational Perspective.
The journal of physical chemistry. B
Nov 1, 2024
The global prevalence of dengue virus (DENV), a widespread flavivirus, has led to varied epidemiological impacts, economic burdens, and health consequences. The alarming increase in infections is exacerbated by the absence of approved antiviral agent...
Antiviral Peptide-Generative Pre-Trained Transformer (AVP-GPT): A Deep Learning-Powered Model for Antiviral Peptide Design with High-Throughput Discovery and Exceptional Potency.
Viruses
Oct 25, 2024
Traditional antiviral peptide (AVP) discovery is a time-consuming and expensive process. This study introduces AVP-GPT, a novel deep learning method utilizing transformer-based language models and multimodal architectures specifically designed for AV...
The role of artificial intelligence in the management of liver diseases.
The Kaohsiung journal of medical sciences
Oct 23, 2024
Universal neonatal hepatitis B virus (HBV) vaccination and the advent of direct-acting antivirals (DAA) against hepatitis C virus (HCV) have reshaped the epidemiology of chronic liver diseases. However, some aspects of the management of chronic liver...
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