Node Connectivity
There are 3029 nodes that can be used as successor
for a node with an output port of type 
Table.
AutoQSAR Predict
Choose structures to make predictions for and the model to apply.
DeepAutoQSAR Build
Build a new QSAR model using deepchem methods.
DeepAutoQSAR Predict
Load an exiting QSAR model to make predictions using deepchem methods.
Shape Screening
Screens a list of molecules against a shape query. Each conformer from a given molecule is aligned to the query in various ways, and a similarity is […]
Phase Screening
Screens one or more pharmacophore hypotheses against one or more structure files or Phase databases.
Phase DB Creation
Creates a Phase 3D Database and conformations
Fragment Joiner
This script joins molecules together based on how well C-H bonds are aligned.
Fragments from Molecules
This script will break up a set of input molecules into fragments based on some simple rules, similar to those described in the original RECAP paper.
Bioisostere Replacement
Replace functional groups on a set of ligands with the corresponding bioisosteres, generating all single replacements.
Reaction Based Enumeration
Set up the reaction or reaction sequence.