p.model: Plot Model

In PaoloBnn/Retip: Retention Time Prediction for Metabolomics

Plot Model

Description

Plot Model

Usage

p.model(t, m, title = "title", crh_leght = 16)

Arguments

t	A dataset with calculated Chemical Descriptors like testing or training or whole dataset
m	A trained model
title	A title for the plot. Example: FiehnHilic Xgboost
crh_leght	the chromatographic lengths in minutes

Value

Returns two plots of the selected model

Examples

# db_rt is the dataset with calculated chemical descriptors
# and RT information coming from function getCD
set.seed(101)
inTraining <- createDataPartition(db_rt$XLogP, p = .8, list = FALSE)
training <- db_rt[ inTraining,]
testing  <- db_rt[-inTraining,]
model_xgb <- fit.xgboost(training)
p.model(testing,model_xgb)

PaoloBnn/Retip documentation built on June 8, 2024, 6:19 a.m.