honda2023.data: Measured Caco-2 Apical-Basal Permeability Data
In httk: High-Throughput Toxicokinetics
honda2023.data R Documentation
Measured Caco-2 Apical-Basal Permeability Data
Description
In vitro Caco-2 membrane permeabilities characterize how readily absobed/transported
a chemical is. These measurements are all for the apical-to-basal Caco-2
orientation.
These data were either measured by EPA or collected by other others, as
indicated by the column 'Data Origin'.
Anywhere that the values is reported by three numbers separated by a comma
(this also happens for plasma protein binding) the three values are: median,
lower 95 percent confidence intervals, upper 95 percent confidence interval. Unless you are
doing monte carlo work it makes sense to ignore the second and third values.
Usage
honda2023.data
Format
An object of class data.frame with 634 rows and 5 columns.
Details
Column Name Description Units
DTXSID EPA's DSSTox Structure ID (https://comptox.epa.gov/dashboard)
Pab Apical-to-basal Caco-2 permeability 10^-6 cm/s
Data Origin The reference which collected/generated the measurement
Test Whether (1) or not (0) the data was withheld from model building to be used in the QSPR test set
CAS Chemical Abstracts Service Registry Number
References
\insertRefobringer2016suitabilityhttk
\insertReflanevskij2019physicochemicalhttk
\insertRefgaulton2012chemblhttk
\insertRefHondaUnpublishedCaco2httk
httk documentation built on Sept. 11, 2024, 9:32 p.m.
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| honda2023.data | R Documentation |
Measured Caco-2 Apical-Basal Permeability Data
Description
In vitro Caco-2 membrane permeabilities characterize how readily absobed/transported a chemical is. These measurements are all for the apical-to-basal Caco-2 orientation. These data were either measured by EPA or collected by other others, as indicated by the column 'Data Origin'. Anywhere that the values is reported by three numbers separated by a comma (this also happens for plasma protein binding) the three values are: median, lower 95 percent confidence intervals, upper 95 percent confidence interval. Unless you are doing monte carlo work it makes sense to ignore the second and third values.
Usage
honda2023.data
Format
An object of class data.frame with 634 rows and 5 columns.
Details
| Column Name | Description | Units |
| DTXSID | EPA's DSSTox Structure ID (https://comptox.epa.gov/dashboard) | |
| Pab | Apical-to-basal Caco-2 permeability | 10^-6 cm/s |
| Data Origin | The reference which collected/generated the measurement | |
| Test | Whether (1) or not (0) the data was withheld from model building to be used in the QSPR test set | |
| CAS | Chemical Abstracts Service Registry Number | |
References
\insertRefobringer2016suitabilityhttk
\insertReflanevskij2019physicochemicalhttk
\insertRefgaulton2012chemblhttk
\insertRefHondaUnpublishedCaco2httk
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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