# R/auac.R In enrichvs: Enrichment assessment of virtual screening approaches

#### Documented in auac

```# Calculate the Area Under the Accumulation Curve (AUAC)
# x: a vector for scores
# y: a vector for labels
#
# e.g.)
# > x <- rnorm(100001) - 1:100001 * 0.00005
# > y <- c(rep(1,501), rep(0,length(x)-501))
# > auac(x, y, decreasing=TRUE)
#
# Ref.: Truchon et al. Evaluating Virtual Screening Methods:
#   Good and Bad Metrics for the "Early Recognition" Problem.
# J. Chem. Inf. Model. (2007) 47, 488-508.
#

auac <- function(x, y, decreasing=TRUE, top=1.0) {
if ( length(x) != length(y) ){
stop(paste("The number of scores must be equal to the number of labels."))
}
N <- length(y)
n <- sum(y == 1)

x_prev <- -Inf
area <- 0
fp = tp = fp_prev = tp_prev = 0
ord <- order(x, decreasing=decreasing)
for (i in seq_along(ord)) {
j <- ord[i]
if (x[j] != x_prev) {
if( fp + tp >= N * top ){
n_right <- (fp - fp_prev) + (tp - tp_prev)
rat <- (N * top - (fp_prev +  tp_prev) ) / n_right
area <- area + rat * n_right * (tp + tp_prev) / 2
return( area/( n * N * top) )
}
n_right <- (fp - fp_prev) + (tp - tp_prev)
area <- area + n_right * (tp + tp_prev) / 2
x_prev <- x[j]
fp_prev <- fp
tp_prev <- tp
}
if (y[j] == 1) {
tp <- tp + 1
} else {
fp <- fp + 1
}
}
n_right <- (fp - fp_prev) + (tp - tp_prev)
area <- area + n_right * (tp + tp_prev) / 2
return( area/(n*N) )
}
```

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