httk (version 1.8)

load_sipes2017: Load data from Sipes et al 2017.

Description

This function returns an updated version of chem.physical_and_invitro.data that includes data predicted with Simulations Plus' ADMET predictor that was used in Sipes et al. 2017, included in admet.data.

Usage

load_sipes2017(overwrite=F)

Arguments

overwrite

If overwrite=TRUE then existing data in chem.physical_and_invitro.data will be replaced by any data in Sipes2017 that is for the same chemical and property. If overwrite=FALSE (DEFAULT) then new data for the same chemical and property are ignored. Funbound.plasma values of 0 (below limit of detection) are overwritten either way.

Value

data.frame

An updated version of chem.physical_and_invitro.data.

Examples

# NOT RUN {
chem.physical_and_invitro.data <- load_sipes2017()
chem.physical_and_invitro.data <- load_sipes2017(overwrite=T) 
# }