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Benchmarking of Small Molecule Feature Representations for hERG, Nav1.5, and Cav1.2 Cardiotoxicity Prediction.

Issar ArabKristof EggheKris LaukensKe ChenKhaled H. BarakatWout Bittremieux
Published in: J. Chem. Inf. Model. (2024)
Keyphrases
  • feature representations
  • feature representation
  • generative model
  • prediction accuracy
  • image representation
  • classifier ensemble
  • visual features