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Assigning Confidence to Molecular Property Prediction.
AkshatKumar Nigam
Robert Pollice
Matthew F. D. Hurley
Riley J. Hickman
Matteo Aldeghi
Naruki Yoshikawa
Seyone Chithrananda
Vincent A. Voelz
Alán Aspuru-Guzik
Published in:
CoRR (2021)
Keyphrases
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prediction accuracy
drug design
confidence measure
three dimensional
high confidence
confidence estimates
real time
genetic algorithm
long term
fine grained
prediction error
dna computing
conformal prediction