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Symmetry calculation for molecules and transition states.
Nick M. Vandewiele
Ruben Van de Vijver
Kevin M. Van Geem
Marie Françoise Reyniers
Guy B. Marin
Published in:
J. Comput. Chem. (2015)
Keyphrases
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mobile robot
state transition
state transitions
transition model
initial state
constraint satisfaction problems
molecular interactions
bilateral symmetry
symmetry detection
finite state machines
database
case study
decision trees
clustering algorithm
information systems
neural network
databases