Node Connectivity

There are 3449 nodes that can be used as predessesor for a node with an input port of type Table.

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

XLogP 

Prediction of logP based on the atom-type method called XLogP.

Conformal Calibration Loop Start 

Splits the input table into two new tables: training and calibration.

Conformal Calibration Loop End 

Aggregates the results of conformal prediction training for classification or regression: calibration tables and models.