Hit and Lead Discovery with Explorative RL and Fragment-based Molecule Generation.

Soojung Yang Doyeong Hwang Seul Lee Seongok Ryu Sung Ju Hwang

Published in: CoRR (2021)

Keyphrases

reinforcement learning
state space
databases
learning algorithm
multi agent
control system
optimal policy
model free
scientific discovery
real time
decision making
relational databases
learning process
markov decision processes