Optimally Weighted Ensembles in Model-Based Regression for Drug Discovery.

Patrick Echtenbruck Michael Emmerich Martina Echtenbruck Boris Naujoks

Published in: CEC (2021)

Keyphrases

drug discovery
chemical compounds
pharmaceutical industry
virtual screening
early stage
systems biology
data mining
scientific data
decision trees
biological systems
discovery process
real world
feature space
knowledge discovery