Node Connectivity
There are 2898 nodes that can be used as successor
for a node with an output port of type 
Table.
Generate Spark Database
Generate Spark™ Database is a tool for generating or updating Spark databases.
Spark Database Search
Spark™ is a bioisostere replacement tool which by selecting a moiety to be replaced in a given 'starter molecule' generates a list of new molecules […]
XedMin
XedMin™ is a tool to minimize molecules using the Cresset XED force field.
XedeX
Wrapper around the XedeX™ command line conformation generator using the Cresset XED force field.
Flare Build Field QSAR
Generates a Flare™ 3D QSAR model for activity from a set of aligned molecules. Training set molecules are used to derive a set of 'sample positions' […]
Flare Field Descriptors
Generates Cresset 3D field descriptors for a set of aligned ligands, which can be used to build machine-learning models. The molecules must be pre-aligned […]
Flare Build Activity Atlas
Generates an Activity Atlas™ for activity from a set of aligned molecules.
Flare Build kNN
Generates a Flare™ kNN regression or classification model for activity from a set of molecules.
Flare Score Activity Atlas
Calculates the Novelty of molecules using an Activity Atlas™ model generated with Flare™ or the 'Flare Build Activity Atlas' node.
Flare Score Field QSAR
Calculates the predicted activity for molecules using a Field 3D-QSAR model generated with Flare™ or the 'Flare Build Field QSAR' node.