Compute extended reduced graphs fingerprints derived from the ErG fingerprint

Usage

fp_erg(mols)

Arguments

mols: A tidymol object.

Examples

if (FALSE) { # is_installed_rdkit()
mol <- parse_smiles("Cc1ccccc1")
mols <- read_smiles(tidychem_example("smi-multiple.smi"))

fp_erg(mol)
fp_erg(mols)
}