Manipulations
This category contains 16 nodes.
Speedy SMILES Clean '.' non-bonds Streamable
Node to clean '.' bonds accepted by some 'relaxed' parsers
Speedy SMILES Clean Bonds Streamable
Node to clean unnecessary bonds.
Speedy SMILES Clean Charges Streamable
Node to clean deprecated '+++' and '---' style charges, and remove '1' from '+1' and '-1' charges.
Speedy SMILES Clean Isotope Labels Streamable
Node to clean redundant leading zeros from isotopic labels
Speedy SMILES Convert D / T Pseudoatoms to Hydrogen Isotopes Streamable
Node to convert the D and T pseudoatoms to 2H and 3H isotopes
Speedy SMILES Convert Hydrogen Isotopes to D / T Pseudoatoms Streamable
Node to convert 2H and 3H isotopes to the D and T pseudoatoms
Speedy SMILES Convert to Scaffold Streamable
Node to convert SMILES strings to a scaffold
Speedy SMILES Cyclise End Atoms Streamable
Node to cyclise a SMILES string by connecting the first and last atom with a new single bond by inserting a ring closure
Speedy SMILES De-salt Streamable
Node to find largest component of SMILES by Heavy Atom Count
Speedy SMILES Dummy Atom Atom Class to Isotope Label Streamable
Node to move dummy atom atom class labels to isotopes