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In Need of Bias Control: Evaluating Chemical Data for Machine Learning in Structure-Based Virtual Screening.
Jochen Sieg
Florian Flachsenberg
Matthias Rarey
Published in:
J. Chem. Inf. Model. (2019)
Keyphrases
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machine learning
data sets
data analysis
data sources
statistical analysis
input data
data processing
data collection
data structure
database
statistical methods
network structure
data mining algorithms
data management
nearest neighbor
knowledge discovery
data points