Compute topological torsions fingerprints.
Note
The vectorized version of this fingerprint has a dimensionality of millions, which is usually considered too high for direct statistical modeling. Therefore we did not include the option to return the explicit fingerprint matrix here.
Examples
if (FALSE) {
mol <- parse_smiles("Cc1ccccc1")
mols <- read_smiles(tidychem_example("smi-multiple.smi"))
fp_torsion(mol)
fp_torsion(mols)
}