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TorsionNet: A Deep Neural Network to Rapidly Predict Small-Molecule Torsional Energy Profiles with the Accuracy of Quantum Mechanics.

Brajesh K. RaiVishnu SreshtQingyi YangRay UnwallaMeihua TuAlan M. MathiowetzGregory A. Bakken
Published in: J. Chem. Inf. Model. (2022)
Keyphrases
  • quantum mechanics
  • neural network
  • decision making
  • artificial neural networks
  • human decision making
  • bp neural network
  • search engine
  • expert systems
  • evolutionary algorithm
  • fuzzy logic