honda2023.qspr: Predicted Caco-2 Apical-Basal Permeabilities
In httk: High-Throughput Toxicokinetics
honda2023.qspr R Documentation
Predicted Caco-2 Apical-Basal Permeabilities
Description
Honda et al. (2023) describes the construction of a machine-learning
quantitative structure-property relationship (QSPR )model for in vitro Caco-2
membrane permeabilites. That model was used to make chemical-specific
predictions provided in this table.
Usage
honda2023.qspr
Format
An object of class data.frame with 14033 rows and 5 columns.
Details
Column Name Description Units
DTXSID EPA's DSSTox Structure ID (https://comptox.epa.gov/dashboard)
Pab.Class.Pred Predicted Pab rate of slow (1), moderate (2), or fast (3)
Pab.Pred.AD Whether (1) or not (0) the chemical is anticipated to be withing the QSPR domain of applicability
CAS Chemical Abstracts Service Registry Number
Pab.Quant.Pred Median and 95-percent interval for values within the predicted class's training data moderate (2), or fast (3) 10^-6 cm/s
References
\insertRefHondaUnpublishedCaco2httk
See Also
load_honda2023
httk documentation built on Sept. 11, 2024, 9:32 p.m.
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.
| honda2023.qspr | R Documentation |
Predicted Caco-2 Apical-Basal Permeabilities
Description
Honda et al. (2023) describes the construction of a machine-learning quantitative structure-property relationship (QSPR )model for in vitro Caco-2 membrane permeabilites. That model was used to make chemical-specific predictions provided in this table.
Usage
honda2023.qspr
Format
An object of class data.frame with 14033 rows and 5 columns.
Details
| Column Name | Description | Units |
| DTXSID | EPA's DSSTox Structure ID (https://comptox.epa.gov/dashboard) | |
| Pab.Class.Pred | Predicted Pab rate of slow (1), moderate (2), or fast (3) | |
| Pab.Pred.AD | Whether (1) or not (0) the chemical is anticipated to be withing the QSPR domain of applicability | |
| CAS | Chemical Abstracts Service Registry Number | |
| Pab.Quant.Pred | Median and 95-percent interval for values within the predicted class's training data moderate (2), or fast (3) | 10^-6 cm/s |
References
\insertRefHondaUnpublishedCaco2httk
See Also
load_honda2023
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.
Embedding an R snippet on your website
Add the following code to your website.
For more information on customizing the embed code, read Embedding Snippets.