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Using Generative Modeling to Endow with Potency Initially Inert Compounds with Good Bioavailability and Low Toxicity.

Robert I. HorneJared Wilson-GodberAlicia González DíazZ. Faidon BrotzakisSrijit SealRebecca C. GregoryAndrea PossentiSean ChiaMichele Vendruscolo
Published in: J. Chem. Inf. Model. (2024)
Keyphrases
  • chemical compounds
  • drug discovery
  • experimental data
  • generative model
  • neural network
  • machine learning
  • computer vision
  • information systems
  • data driven
  • modeling method