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COMA: efficient structure-constrained molecular generation using contractive and margin losses.
Jonghwan Choi
Sangmin Seo
Sanghyun Park
Published in:
J. Cheminformatics (2023)
Keyphrases
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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