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Compute extended reduced graphs fingerprints derived from the ErG fingerprint

Source: R/fp.R
fp_erg.Rd

Compute extended reduced graphs fingerprints derived from the ErG fingerprint

Usage

fp_erg(mols)

Arguments

mols

A tidymol object.

Examples

if (FALSE) {

mol <- parse_smiles("Cc1ccccc1")
mols <- read_smiles(tidychem_example("smi-multiple.smi"))

fp_erg(mol)
fp_erg(mols)
}