COMA: efficient structure-constrained molecular generation using contractive and margin losses.

Jonghwan Choi Sangmin Seo Sanghyun Park

Published in: J. Cheminformatics (2023)

Keyphrases

structural information
neural network
cost effective
machine learning
support vector
hierarchical structure
generation process
real time
probabilistic model
lightweight
computationally efficient
generalization error
indexing structure