-Based Training Set Selection Improves the External Predictability of QSAR/QSPR Models.

Ying Dong Bingren Xiang Ding Du

Published in: J. Chem. Inf. Model. (2017)

Keyphrases

training set
probabilistic model
statistical models
data sets
parameter estimation
learning algorithm
training data
feature space
prior knowledge
model selection
test set
cross validation
statistical model