This category contains 16 nodes.
Node to clean '.' bonds accepted by some 'relaxed' parsers
Node to clean unnecessary bonds.
Node to clean deprecated '+++' and '---' style charges, and remove '1' from '+1' and '-1' charges.
Node to clean redundant leading zeros from isotopic labels
Node to convert the D and T pseudoatoms to 2H and 3H isotopes
Node to convert 2H and 3H isotopes to the D and T pseudoatoms
Node to convert SMILES strings to a scaffold
Node to cyclise a SMILES string by connecting the first and last atom with a new single bond by inserting a ring closure
Node to find largest component of SMILES by Heavy Atom Count
Node to move dummy atom atom class labels to isotopes
Do you have feedback, questions, comments about NodePit, want to support this platform, or want your own nodes or workflows listed here as well? Do you think, the search results could be improved or something is missing? Then please get in touch! Alternatively, you can send us an email to email@example.com, follow @NodePit on Twitter, or chat on Gitter!
Please note that this is only about NodePit. We do not provide general support for KNIME — please use the KNIME forums instead.