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Calculating and Optimizing Physicochemical Property Distributions of Large Combinatorial Fragment Spaces.
Louis Bellmann
Raphael Klein
Matthias Rarey
Published in:
J. Chem. Inf. Model. (2022)
Keyphrases
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random variables
amino acids
probability distribution
exponential distributions
databases
power law
data points
image segmentation
joint distribution
global consistency
statistical distributions
log normal
rough sets
similarity measure
information systems
kullback leibler divergence
neural network