Comparison Data Sets for Benchmarking QSAR Methodologies in Lead Optimization.

Ruchi R. Mittal Ross A. McKinnon Michael J. Sorich

Published in: J. Chem. Inf. Model. (2009)

Keyphrases

data sets
optimization algorithm
optimization process
optimization problems
real world
database
benchmark data sets
multi objective
data mining
global optimization
optimization methods
machine learning
training set
high dimensional
statistical methods
optimization model
small data sets