Node Connectivity

There are 4973 nodes that can be used as predessesor for a node with an input port of type Generic Port.

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.

Conformal Prediction Loop Start 

Iterates over Model and Calibration table pairwise.

Conformal Prediction Loop End 

Aggregates the results of conformal prediction for conformal classification or conformal regression.

Conformal Calibrator 

Creates a calibration table with ranking for further calibration of the test data sets.