Node Connectivity

There are 5216 nodes that can be used as predessesor for a node with an input port of type Generic Port.

Lipinski's Rule-of-Five 

Calculates the number failures of the Lipinski's Rule Of Five.

Mass Calculator 

This node calculates the molecular mass or molar mass of a sum formula.

Molecular Properties 

Calculates molecular properties using CDK

OPSIN 

Retrieves various formats for a given molecule.

SMARTS Query 

Filters molecules based on a SMARTS search

Structure Sketcher 

Sketch a molecular structure

Substructure Search 

Filters molecules based on a fragment

Sugar Remover 

This node removes sugars from compounds

Sum Formula 

Node to generate molecular formulas based on a given mass input.

Symmetry 

This node does the partition of atoms into equivalent classes