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MFBind: a Multi-Fidelity Approach for Evaluating Drug Compounds in Practical Generative Modeling.
Peter Eckmann
Dongxia Wu
Germano Heinzelmann
Michael K. Gilson
Rose Yu
Published in:
CoRR (2024)
Keyphrases
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drug discovery
data driven
generative model
practical application
real world
artificial intelligence
unsupervised learning
database
neural network
decision trees
multiscale
decision support system
bit rate
modeling method
modeling framework
chemical compounds