R: Task-Oriented Cheminformatics in R Using 'RDKit' via 'Python'

# Task-Oriented Cheminformatics in R Using 'RDKit' via 'Python'

## Documentation for package ‘rdkitpyr’ version 0.2.1

- DESCRIPTION file
- Package NEWS
- Package README

## Help Pages

.IsRdkitAvailable | Check whether RDKit is available
CalculateAllDescriptors | Calculate all RDKit molecular descriptors
CalculateExactMass | Calculate the exact mass of molecules
CalculateMaccsFingerprints | Calculate MACCS fingerprints for a set of molecules
CalculateMolecularWeight | Calculate the average molecular weight of molecules
CalculateMorganFingerprints | Calculate Morgan fingerprints for a set of molecules
CalculateRdkitFingerprints | Calculate RDKit topological fingerprints for a set of molecules
ConvertToInchi | Convert molecules to InChI strings
ConvertToInchikey | Convert molecules to InChIKey strings
ConvertToSmiles | Convert molecules to SMILES strings
GetPythonInfo | Get information about the currently used Python environment
ParseMolecules | Parse SMILES and InChI strings into RDKit Mol objects
test_compounds | Test compounds