auac: Function to culculate the Area Under the Accumulation Curve...

In enrichvs: Enrichment assessment of virtual screening approaches

Description

Function to calculate the Area Under the Accumulation Curve (AUAC).

Usage

	auac(x, y, decreasing=TRUE, top=1.0)

Arguments

x	a vector for scores
y	a vector for labels (0:inactive, 1:active)
decreasing	TRUE if the compounds are ranked by decreasing score
top	threshold ratio of the false positives (when ROC analysis is performed on a top list)

Value

AUAC, in the range from 0 to 1.

Author(s)

Hiroaki YABUUCHI

References

Truchon et al. Evaluating Virtual Screening Methods: Good and Bad Metrics for the "Early Recognition" Problem. J. Chem. Inf. Model. (2007) 47, 488-508.

Examples

x <- rnorm(1000)  # random scores for 1000 compounds
y <- c(rep(1,50), rep(0,950))     # activity labels for "x"
auac(x, y)

data(dud_egfr)
auac(dud_egfr$energy, dud_egfr$label, decreasing=FALSE)

Example output

[1] 0.51672
[1] 0.6026913

enrichvs documentation built on May 2, 2019, 10:22 a.m.