This node moves cleans leading and trailing '.' non-bond characters, and treating multiple contiguous '.' characters as a single …

This node cleans unecessary bonds: Single bonds - only retained then they are between two aromatic atoms Aromatic bonds - all rem…

This node cleans the deprecated charge style using multiple repeated '+' or '-' characters, e.g. [Fe+++] becomes [Fe+3], [O--] be…

This node moves cleans leading zeros from isotope labels. As [0Aa] is not the same as [Aa] (where Aa is any element), if only zer…

This node moves converts the D and T pseudoatoms to 2H and 3H isotopes This node was developed by Vernalis Research . For feedbac…

This node moves converts 2H and 3H isotopes to the D and T pseudoatoms This node was developed by Vernalis Research . For feedbac…

This node converts SMILES strings to a scaffold representation. By default, all atoms are represented as 'C' (i.e. carbon), and t…

This node cyclises a SMILES string by connecting the first and last atom with a new single bond by inserting a ring closure NB No…

This node desalts SMILES strings by splitting into their individual components and counting the number of heavy atoms in each com…

This node moves dummy atom atom classes to isotopes. Where an isotope is already present, or an (illegal!) non-numeric atom class…

This node moves dummy atom isotope labels to atom classes. Where an atom class is already present, the atom is left unchanged. e.…

This node enumerates all possible options of all explicitly defined stereocentres. Where '@' or '@@' has been used as shorthand f…

This node inverts explicitly defined tetrahedral or allenyl stereocentres. Where '@' or '@@' has been used as shorthand for OH1, …

This node replaces dummy atoms with an alternative supplied element symbol. No validation of the element symbol is carried out be…

This node strips out explicitly defined double bond geometries This node was developed by Vernalis Research . For feedback and mo…

This node strips out explicitly defined stereocentres, defined using '@' or '@@' or the @OH1, @AL2 etc designations This node was…