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Computing the Volume, Surface Area, Mean, and Gaussian Curvatures of Molecules and Their Derivatives.

Patrice KoehlArseniy V. AkopyanHerbert Edelsbrunner
Published in: J. Chem. Inf. Model. (2023)
Keyphrases
  • higher order
  • gaussian derivatives
  • neural network
  • gaussian mixture model
  • geometric properties
  • volume data
  • directional derivatives
  • data sets
  • three dimensional
  • maximum likelihood