Estimation Methods on 211 Druglike Compounds.

John Manchester Grant Walkup Olga Rivin Zhiping You

Published in: J. Chem. Inf. Model. (2010)

Keyphrases

cross validation
machine learning
significant improvement
computational cost
empirical studies
benchmark datasets
machine learning methods
search engine
clustering algorithm
preprocessing
least squares
data mining techniques
experimental data
density estimation