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Quantum Mechanical Energy-Based Screening of Combinatorially Generated Library of Tautomers. TauTGen: A Tautomer Generator Program.
Maciej Haranczyk
Maciej Gutowski
Published in:
J. Chem. Inf. Model. (2007)
Keyphrases
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quantum mechanics
automatically generated
neural network
multiscale
test cases
generation process
data sets
databases
learning algorithm
image analysis
evolutionary algorithm
open source
program execution
advanced research projects agency