Learning to design drug-like molecules in three-dimensional space using deep generative models.

Yibo Li Jianfeng Pei Luhua Lai

Published in: CoRR (2021)

Keyphrases

generative model
discriminative learning
learning algorithm
prior knowledge
reinforcement learning
hidden variables
learning process
probabilistic model
hidden markov models
mixture model
deep belief networks
training data
training set
em algorithm
complex domains
learned models