remove_ad: Remove observations outside of the applicability domain
In awqx/qsarr: Useful Functions for Building a QSAR in R

Description Usage Arguments Details Value

remove_ad is a wrapper for [predict.ad()] and indexing the data frame to retain values that are not X-outliers. It is similar to [remove_xoutlier()] but is specified for testing data and not training data.

1	remove_ad(df, ad_obj, quiet = T, ...)

`df`	The data frame where molecules outside the applicability domain should be removed. This should be testing data only.
`ad_obj`	An `"ad"` class object built off of the training data for the model being examined.
`quiet`	Whether to message how many observations were found to be outside the applicability domain. The default is `quiet = T`.

A recommended optional argumet is ignore_more = to specify a vector of column indices or column names (as characters) to skip when using [predict.ad()] in the function.

A data frame with observations within the appliability domain of the training data.

awqx/qsarr documentation built on Oct. 2, 2021, 7:05 a.m.