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How Accurately Can We Predict the Melting Points of Drug-like Compounds?

Igor V. TetkoYurii SushkoSergii NovotarskyiLuc PatinyIvan KondratovAlexander E. PetrenkoLarisa CharochkinaAbdullah M. Asiri
Published in: J. Chem. Inf. Model. (2014)
Keyphrases
  • drug discovery
  • chemical compounds
  • feature points
  • experimental data
  • point sets
  • artificial intelligence
  • information systems
  • optical flow
  • data points
  • convex hull
  • pharmaceutical industry