predict.Oxi: Predicts the product of oxidation of a phosphine or...
In PengGroup/indoortransformer: Predict Indoor Transformation Products
View source: R/predictReactionProducts.R
predict.Oxi R Documentation
Predicts the product of oxidation of a phosphine or thiophosphate.
Description
Predicts the product of oxidation of a phosphine or thiophosphate.
Usage
## S3 method for class 'Oxi'
predict(rxnSite)
Arguments
rxnSite
One-row tibble containing: molecule (as SMILES string), reaction site type (string), SDF bondblock row number, and SDF atomblock row numbers for phosphorus, oxygen, sulfur, and/or carbon. See findBonds() for more details.
Value
A character vector of length one containing a SMILES string.
PengGroup/indoortransformer documentation built on May 21, 2022, 12:05 a.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.
View source: R/predictReactionProducts.R
| predict.Oxi | R Documentation |
Predicts the product of oxidation of a phosphine or thiophosphate.
Description
Predicts the product of oxidation of a phosphine or thiophosphate.
Usage
## S3 method for class 'Oxi' predict(rxnSite)
Arguments
rxnSite |
One-row tibble containing: molecule (as SMILES string), reaction site type (string), SDF bondblock row number, and SDF atomblock row numbers for phosphorus, oxygen, sulfur, and/or carbon. See findBonds() for more details. |
Value
A character vector of length one containing a SMILES string.
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.