This category contains 5 nodes.
Eliminates all molecules except the molecule with the largest number of atoms in each structure.
Produces multiple structures for each input structure, with different combinations of ionized states based on the ionizable groups present.
Neutralizes functional groups where possible by adding or removing protons.
Labels stereochemical features or generates structures based upon the chiral properties of the chiral atoms in the structure.
Generates probable tautomeric states.
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.