Node Connectivity

There are 2940 nodes that can be used as successor for a node with an output port of type Table.

Pharmacophore to molecule 

Generate molecule from pharmacophore

Pharmacophore writer 

Write align-it pharmacophore files

Silicos-it executor 

Executes a Silicos-it program

SyGMa Metabolites 

Predict metabolites from parent molecules using Sygma (https://github.com/3D-e-Chem/sygma).

ss-TEA score 

Subfamily specific two entropy analysis score.

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.