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Thompson Sampling─An Efficient Method for Searching Ultralarge Synthesis on Demand Databases.
Kathryn Klarich
Brian Goldman
Trevor Kramer
Patrick Riley
W. Patrick Walters
Published in:
J. Chem. Inf. Model. (2024)
Keyphrases
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databases
preprocessing
high precision
detection method
significant improvement
dynamic programming
similarity measure
parameter space
clustering method
pairwise
multiscale
classification accuracy
detection algorithm
cost function
prior knowledge
synthetic data
sample size
optimization method