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Evolutionary algorithms for automated drug design towards target molecule properties.
Johannes W. Kruisselbrink
Thomas Bäck
Adriaan P. IJzerman
Eelke van der Horst
Published in:
GECCO (2008)
Keyphrases
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evolutionary algorithm
drug design
drug discovery
protein structure prediction
differential evolution
optimization problems
quantitative structure activity
genetic algorithm
association rules
data sets
simulated annealing
fine grained
graph theory