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Attention Mechanism-Based Graph Neural Network Model for Effective Activity Prediction of SARS-CoV-2 Main Protease Inhibitors: Application to Drug Repurposing as Potential COVID-19 Therapy.

Yanling WuKun LiMenglong LiXuemei PuYanzhi Guo
Published in: J. Chem. Inf. Model. (2023)
Keyphrases
  • neural network model
  • human immunodeficiency virus
  • drug resistance
  • neural network
  • drug design
  • high quality
  • fine grained
  • hiv protease
  • real time
  • artificial neural networks
  • bp neural network
  • attention mechanism