OPCproducts.Frag: Predict common fragments of OPCs (organophosphorus...
In PengGroup/indoortransformer: Predict Indoor Transformation Products
OPCproducts.Frag R Documentation
Predict common fragments of OPCs (organophosphorus compounds).
Description
Predict common fragments of OPCs (organophosphorus compounds).
Usage
OPCproducts.Frag(smilesList)
Arguments
smilesList
Input character vector of organophosphorus compounds. Must be in SMILES (Simplified Molecular Input Line Entry Specification) format.
Value
Tibble containing input SMILES and predicted positive/negative fragment m/z values for each.
PengGroup/indoortransformer documentation built on May 21, 2022, 12:05 a.m.
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| OPCproducts.Frag | R Documentation |
Predict common fragments of OPCs (organophosphorus compounds).
Description
Predict common fragments of OPCs (organophosphorus compounds).
Usage
OPCproducts.Frag(smilesList)
Arguments
smilesList |
Input character vector of organophosphorus compounds. Must be in SMILES (Simplified Molecular Input Line Entry Specification) format. |
Value
Tibble containing input SMILES and predicted positive/negative fragment m/z values for each.
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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