MGCVAE: Multi-Objective Inverse Design via Molecular Graph Conditional Variational Autoencoder.

Myeonghun Lee Kyoungmin Min

Published in: J. Chem. Inf. Model. (2022)

Keyphrases

multi objective
image segmentation
user interface
evolutionary algorithm
design process
engineering design
optimum design
case study
pairwise
optimization algorithm
random variables