AutoGrow4: an open-source genetic algorithm for de novo drug design and lead optimization.

Jacob O. Spiegel Jacob D. Durrant

Published in: J. Cheminformatics (2020)

Keyphrases

drug design
open source
genetic algorithm
protein structure prediction
databases
protein protein interactions
quantitative structure activity
evolutionary algorithm
optimization problems
metaheuristic
drug discovery
data analysis
wireless sensor networks
high precision