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Drug Discovery under Covariate Shift with Domain-Informed Prior Distributions over Functions.
Leo Klarner
Tim G. J. Rudner
Michael Reutlinger
Torsten Schindler
Garrett M. Morris
Charlotte M. Deane
Yee Whye Teh
Published in:
ICML (2023)
Keyphrases
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drug discovery
covariate shift
domain adaptation
scientific data
pharmaceutical industry
cross domain
model selection
virtual screening
early stage
discovery process
domain specific
semi supervised
biological systems
information retrieval
machine learning
data sets
database