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Thousands of reactants and transition states for competing E2 and S$_\mathrm{N}$2 reactions.
Guido Falk von Rudorff
Stefan N. Heinen
Marco Bragato
O. Anatole von Lilienfeld
Published in:
Mach. Learn. Sci. Technol. (2020)
Keyphrases
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state transition
state transitions
transition model
neural network
finite state machines
state variables
databases
information retrieval
real world
feature selection
three dimensional
multi agent
hidden markov models
state space
machine learning
transition probabilities
data mining
initial state