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Predictiveness curves in virtual screening.
Charly Empereur-mot
Hélène Guillemain
Aurélien Latouche
Jean-François Zagury
Vivian Viallon
Matthieu Montès
Published in:
J. Cheminformatics (2015)
Keyphrases
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virtual screening
chemical structures
drug discovery
similarity searching
binding sites
high throughput
metric space
database
data mining
graphical models
statistically significant
scoring function
chemical compounds