Node Connectivity

There are 3040 nodes that can be used as successor for a node with an output port of type Table.

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.

Flare Score kNN 

Calculates predicted activity for molecules using a kNN model generated with Flare™ or the 'Flare Build kNN' node. If the model was generated using […]

Flare Align 

Flare™ Align is a tool for aligning a set of molecules to one or more reference molecules in a pre-defined conformation.

Flare Docking 

Flare™ Docking is a node to run docking and scoring experiments using the Lead Finder™ docking algorithm, now fully integrated in Flare.

Flare Viewer 

Launches Flare™ to view ligand and protein structures.

pyflare 

Runs a Python script using pyflare. The scripts have access to Flare™ Python API.