Quantitative structure–activity relationship models (QSAR models) are regression or classification models used in the chemical and biological sciences and engineering. Like other regression models, QSAR regression models relate a set of "predictor" variables (X) to the potency of the response variable(Y), while classification QSAR models relate the predictor variables to a categorical value of the response variable. Related terms include quantitative structure–property relationships (QSPR) when a physico-chemical property or a reactivity are modeled as response variable. “source wikipedia”
The package it’s gonna contain tools for:
data splitting
pre-processing
model tuning using resampling
variable importance estimation
Automated results reports