5 datasets found
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Federal
QSARs for Plasma Protein Binding: Source Data and Predictions 12 recent views
U.S. Environmental Protection Agency —
The dataset has all of the information used to create and evaluate 3 independent QSAR models for the fraction of a chemical unbound by plasma protein (Fub) for... -
Federal
Designing QSARs for Parameters of High-Throughput Toxicokinetic Models Using Open-Source Descriptors
U.S. Environmental Protection Agency —
Additional details used in the methods are found in the MS Word file “S1_Dawson et al._Supporting_Information.docx”. The MS Excel file “S2_Dawson et al. Supporting... -
Federal
Rapid Experimental Estimates of Physicochemical Properties
U.S. Environmental Protection Agency —
We have performed high-throughput experimental estimates of five physicochemical properties for a set of 200 chemicals to evaluate the consistency with previous... -
Federal
A Workflow for Identifying Metabolically Active Chemicals to Complement in vitro Toxicity Screening
U.S. Environmental Protection Agency —
This data includes metabolite predictions for in vitro inactive chemicals, predictions of those metabolite's estrogen receptor binding activity, in vitro and in... -
Federal
Designing QSARs for parameters of high throughput toxicokinetic models using open-source descriptors
U.S. Environmental Protection Agency —
The MS Excel file (Dawson et al S2 Supporting information.xlsx) contains multiple sheets containing the training sets, test sets, and predictions for intrinsic...
5 datasets found
