CHA2: CHemistry Aware Convex Hull Autoencoder Towards Inverse Molecular Design.

Mohammad Sajjad Ghaemi Hang Hu Anguang Hu Hsu Kiang Ooi

Published in: CoRR (2023)

Keyphrases

convex hull
bayesian networks
feasible solution
mixed integer
machine learning
decision trees
objective function
high dimensional
linear inequalities
convexity measure