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Solubility Challenge Revisited after Ten Years, with Multilab Shake-Flask Data, Using Tight (SD ∼ 0.17 log) and Loose (SD ∼ 0.62 log) Test Sets.
Antonio Llinàs
Alex Avdeef
Published in:
J. Chem. Inf. Model. (2019)
Keyphrases
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data sets
test set
test data
raw data
data points
database
training data
image data
data analysis
knowledge discovery
data processing
experimental data
computer systems
data collection
input data
xml documents
high quality
high dimensional data
error rate
test cases
missing data
training set
data structure
log files