predict.Hydrolysis: Predicts the products of hydrolysis at a phosphate ester...
In PengGroup/indoortransformer: Predict Indoor Transformation Products
View source: R/predictReactionProducts.R
predict.Hydrolysis R Documentation
Predicts the products of hydrolysis at a phosphate ester linkage.
Description
Predicts the products of hydrolysis at a phosphate ester linkage.
Usage
## S3 method for class 'Hydrolysis'
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 two containing SMILES strings, one for each hydrolysis product.
PengGroup/indoortransformer documentation built on May 21, 2022, 12:05 a.m.
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View source: R/predictReactionProducts.R
| predict.Hydrolysis | R Documentation |
Predicts the products of hydrolysis at a phosphate ester linkage.
Description
Predicts the products of hydrolysis at a phosphate ester linkage.
Usage
## S3 method for class 'Hydrolysis' 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 two containing SMILES strings, one for each hydrolysis product.
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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