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Statistical modeling of value distributions of similarity coefficients in virtual screening and its application to predicting fingerprint search performance.
Martin Vogt
Jürgen Bajorath
Published in:
J. Cheminformatics (2013)
Keyphrases
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statistical modeling
statistical models
similarity searching
virtual screening
similarity measure
probability distribution
similarity search
machine learning
statistical model
search tools
chemical structures
feature space
graphical models
user defined
binding sites