Speedy SMILES Remove s-Block Metal-containing Molecules Splitter Streamable

Node to remove rows with molecules containing s-block metals

Fingerprint to Binary String Streamable

This node converts binary (bitvector) fingerprints to a binary String representation

Speedy SMILES Remove d-Block Metal-containing Molecules Filter Streamable

Node to remove rows with molecules containing d-block metals

Speedy SMILES Remove f-block Metal-containing Molecules Filter Streamable

Node to remove rows with molecules containing f-block metals

Speedy SMILES Replace Dummy Atom Streamable

Node to replace dummy atoms with an alternative atom

PDB Connector Query Builder 

Node to generate an advanced RCSB query

Speedy SMILES Element Count (C, N, O) Streamable

Node to find the C, N and O count of a SMILES molecule

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 D / T Pseudoatoms to Hydrogen Isotopes Streamable

Node to convert the D and T pseudoatoms to 2H and 3H isotopes

Fingerprint MIN Streamable

This node calculates the minimum of two count (bytevector) fingerprints