bedroc {enrichvs} | R Documentation |
Function to culculate the Boltzmann-Enhanced Discrimination of ROC (BEDROC)
bedroc(x, y, decreasing=TRUE, alpha=20.0)
x |
a vector for scores |
y |
a vector for labels |
alpha |
coefficient alpha |
decreasing |
TRUE if the compounds are ranked by decreasing score |
BEDROC, in the range from 0 to 1.
Hiroaki YABUUCHI
Truchon et al. Evaluating Virtual Screening Methods: Good and Bad Metrics for the "Early Recognition" Problem. J. Chem. Inf. Model. (2007) 47, 488-508.
x <- rnorm(1000) # random scores for 1000 compounds y <- c(rep(1,50), rep(0,950)) # activity labels for "x" bedroc(x, y) data(dud_egfr) bedroc(dud_egfr$energy, dud_egfr$label, decreasing=FALSE)