This data set contains the necessary information to make basic, high-throughput toxicokinetic (HTTK) predictions for compounds, including Funbound.plasma, molecular weight (g/mol), logP, logMA (membrane affinity), intrinsic clearance(uL/min/10^6 cells), and pKa. These data have been compiled from multiple sources, and can be used to parameterize a variety of toxicokinetic models.
chem.physical_and_invitro.dataA data.frame containing 565 rows and 33 columns.
DSStox database (http:// www.epa.gov/ncct/dsstox
EPI Suite, http://www.epa.gov/opptintr/exposure/pubs/episuite.htm
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