This node converts one of the incoming columns with chemical structures into the aromatic form. The new column is appended to the…

This node discards all the labels on structure's atoms and replaces them with the given label. It also discards all stereochemist…

This node replaces the structure bond types with a specifed bond type. Supported types: Molecule: String, SDF, Smiles, CML, Mol, …

This node takes a table containing a column with molecules or reactions as a target and append new column with these objects in c…

This node generates reactions by the specified reaction pattern and the input molecules. See the examples for more details. Suppo…

This node combines the input molecule components into joined molecules and writes the result molecules into the output table colu…

This node decomposes the input molecules into connected components and writes the components into the output table columns. The b…

This node converts one of the incoming columns with chemical structures into the Kekule form. The new column is appended to the i…

This nodes removes selected features from the given structures Supported types: Molecule: String, SDF, Smiles, CML, Mol, InChI Re…

This node calculates the values of structural similarity of input fingerprints against a given reference fingerprint. It also can…

This node accepts a table with molecules and a table with a gross formula strings, and splits the first table into three sets, th…

This node (re)computes atom coordinates Supported types: Molecule: String, SDF, Smiles, CML, Mol, InChI Reaction: String, RXN, SM…

This node highlights the structure atoms and bond by indices privided in a column value. Indices can be separated by space or com…

This node adds explicit hydrogens to chemical entities to fulfill the valencies. Supported types: Molecule: String, SDF, Smiles, …

This node removes explicit hydrogens from chemical structures. Supported types: Molecule: String, SDF, Smiles, CML, Mol, InChI Re…

This node takes a table containing a column with molecules as a target and append new column with these objects in InChi format a…

This node calculates Indigo structural fingerprints for structures. Supported types: Molecule: String, SDF, Smiles, CML, Mol, InC…

This node enumerates all the isomers of the input molecules. Supported types: Molecule: String, SDF, Smiles, CML, Mol, InChI The …

This node finds the maximum common scaffold (MCS) of an arbitrary amount of the input molecules. In case of multiple MCS, they ar…

Create new columns holding molecular properties, computed for each structure. The computations are based on the Indigo toolkit an…