Pafnucy - A deep neural network for structure-based drug discovery.

Marta M. Stepniewska-Dziubinska Piotr Zielenkiewicz Pawel Siedlecki

Published in: CoRR (2017)

Keyphrases

drug discovery
neural network
data mining
chemical compounds
preprocessing
network structure
database
databases
decision trees
software engineering
statistical analysis
virtual screening
pharmaceutical industry