predictionRT: predictionRT

View source: R/predictionRT.R

predictionRTR Documentation

predictionRT

Description

This function used to predict retention time of each compounds

Usage

predictionRT(x)

Arguments

x

Examples

##---- Should be DIRECTLY executable !! ----
## Input compounds smils list in canonical format

## The function is currently defined as
smilist <- data
predictedRT <- predictionRT(smilelist)

YANGJJ93MS/NTAprioritization documentation built on April 14, 2024, 1:04 a.m.