DeepReI: Retention index predictions
In TomasVrzal/DeepReI: Deep Learning-based Retention Index Predictor
DeepReI R Documentation
Retention index predictions
Description
DeepReI (Deep Learning-based Retention Index predictor) is gas chromatographic retention index predictor based on convolutional neural network.
Usage
DeepReI()
Arguments
...
function has no parameters (data input is performed by GUI)
Details
It is designed to predict retention index of molecules (represented as SMILES strings) on SEMI-STANDARD NON-POLAR stationary
phases (e.g. 5
Value
shiny.appobj
Author(s)
Tomas Vrzal <tomas.vrzal@beerresearch.cz>
References
Tomáš Vrzal, Michaela Malečková, Jana Olšovská,DeepReI: Deep learning-based gas chromatographic retention index predictor,Analytica Chimica Acta 1147, 2021, 64 - 71
TomasVrzal/DeepReI documentation built on March 23, 2022, 6:44 a.m.
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| DeepReI | R Documentation |
Retention index predictions
Description
DeepReI (Deep Learning-based Retention Index predictor) is gas chromatographic retention index predictor based on convolutional neural network.
Usage
DeepReI()
Arguments
... |
function has no parameters (data input is performed by GUI) |
Details
It is designed to predict retention index of molecules (represented as SMILES strings) on SEMI-STANDARD NON-POLAR stationary phases (e.g. 5
Value
shiny.appobj
Author(s)
Tomas Vrzal <tomas.vrzal@beerresearch.cz>
References
Tomáš Vrzal, Michaela Malečková, Jana Olšovská,DeepReI: Deep learning-based gas chromatographic retention index predictor,Analytica Chimica Acta 1147, 2021, 64 - 71
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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