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 calculates Murcko scaffolds of input molecules. Supported types: Molecule: String, SDF, Smiles, CML, Mol, InChI The nod…

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

Generates reaction atom-to-atom mappings (AAM). Supported types: Reaction: String, Rxn, Smiles, CML Query reaction: String, Rxn, …

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

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

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

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

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

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

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 performs R-Group decomposition of a given collection of structures, using a scaffold that is common for these structure…

This node counts the number of unique independent matches of a given query file in each molecule of the input table Supported typ…

This node transforms molecules according to reaction-base set of rules. See the examples for more details. Supported types: Molec…

This node combines the input molecules and creates reactions from given reactants, products and catalysts columns. Defines the ou…

This node splits the input reactions into reactants, products and catalysts and writes result molecules into separate columns. De…

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

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

This node accepts a table with structures and divides it into two sets, one with structures that have correct valencies on atoms,…

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