Compound Optimization through Data Set-Dependent Chemical Transformations.

Antonio de la Vega de León Jürgen Bajorath

Published in: J. Chem. Inf. Model. (2013)

Keyphrases

data sets
global optimization
optimization process
optimization algorithm
joint optimization
optimization problems
optimization model
optimal design
discrete optimization
evolutionary algorithm
training set
real time
optimization method
feature space
microarray data
training data
real world