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Predicting Regioselectivity and Lability of Cytochrome P450 Metabolism Using Quantum Mechanical Simulations.

Jonathan D. TyzackPeter A. HuntMatthew D. Segall
Published in: J. Chem. Inf. Model. (2016)
Keyphrases
  • quantum mechanics
  • quantum computing
  • simulation models
  • numerical simulations
  • metabolic pathways
  • quantum inspired
  • real time
  • artificial intelligence
  • support vector
  • evolutionary algorithm
  • mathematical analysis