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Stereochemically Consistent Reaction Mapping and Identification of Multiple Reaction Mechanisms through Integer Linear Optimization.
Eric L. First
Chrysanthos E. Gounaris
Christodoulos A. Floudas
Published in:
J. Chem. Inf. Model. (2012)
Keyphrases
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optimization algorithm
reaction diffusion
global optimization
image sequences
chemical reaction
constrained optimization
database
neural network
optimization problems
building blocks
convex optimization
quadratic programming
linear constraints
semidefinite
integer arithmetic