molecules.

Yunfei Zhou Xiaoguang Bao Weston Thatcher Borden

Published in: J. Comput. Chem. (2016)

Keyphrases

real world
molecular interactions
molecular structure
digital libraries
pattern recognition
search algorithm
cooperative
ligand docking
chemical reactions
preprocessing
data sets
multiscale
training data
three dimensional
knowledge base
feature selection
databases