httk.performance | R Documentation |
This table records the historical performance and other metrics
of the R package "httk" as
profiled with the function benchmark_httk
. There is a row for
each version and a column for each benchmark or metric. This table is used
to generate graphs comparing the current version to past performance in order
to help identify unintended degradtion of package capabilities.
httk.performance
An object of class data.frame
with 25 rows and 18 columns.
Column Name | Description |
Version | The release of httk (major.minor.patch) |
N.steadystate | The number of chemicals for which Css can be predicted for the steady-state model |
calc_analytic.units | The ratio of the output of calc_analytic_css in mg/L to uM multiplied by 1000/MW (should be 1) |
calc_mc.units | The ratio of the output of calc_mc_css in mg/L to uM multiplied by 1000/MW (should be 1) |
solve_pbtk.units | The ratio of a Cplasma value from solve_pbtk in mg/L to uM multiplied by 1000/MW (should be 1) |
RMSLE.Wetmore | Root mean squared log10 error between Css predictions from httk and published values from Wetmore papers (both 95th percentile) |
N.Wetmore | Number of chemicals used in RMSLE evaluation |
RMSLE.noMC | RMSLE between 95th percentile Css prediction and median prediction |
N.noMC | Number of chemicals used in RMSLE evaluation |
RMSLE.InVivoCss | RMSLE for predictions of in vivo measured Css |
N.InVivoCss | Number of chemicals used in RMSLE evaluation |
RMSLE.InVivoAUC | RMSLE for predictions of in vivo measured AUCs |
N.InVivoAUC | Number of chemicals used in RMSLE evaluation |
RMSLE.InVivoCmax | RMSLE for predictions of in vivo measured Cmax |
N.InVivoCmax | Number of chemicals used in RMSLE evaluation |
RMSLE.TissuePC | RMSLE for predicted tissue:plasma partition coefficients |
N.TissuePC | Number of chemicals used in RMSLE evaluation |
Notes | Why benchmarks/metrics may have changed |
DavidsonFritzUnpublishedModelAddinghttk
benchmark_httk
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