Compute pattern fingerprints, a topological fingerprint optimized for substructure screening
Source:R/fp.R
fp_pattern.Rd
Compute pattern fingerprints, a topological fingerprint optimized for substructure screening
Examples
if (FALSE) { # is_installed_rdkit()
mol <- parse_smiles("Cc1ccccc1")
mols <- read_smiles(tidychem_example("smi-multiple.smi"))
fp_pattern(mol)
fp_pattern(mols)
fp_pattern(mol, explicit = TRUE)
fp_pattern(mols, explicit = TRUE)
}