There are 3040 nodes that can be used as successor
for a node with an output port of type Table.
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 […]
Generates an Activity Atlas™ for activity from a set of aligned molecules.
Generates a Flare™ kNN regression or classification model for activity from a set of molecules.
Calculates the Novelty of molecules using an Activity Atlas™ model generated with Flare™ or the 'Flare Build Activity Atlas' node.
Calculates the predicted activity for molecules using a Field 3D-QSAR model generated with Flare™ or the 'Flare Build Field QSAR' node.
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 is a tool for aligning a set of molecules to one or more reference molecules in a pre-defined conformation.
Flare™ Docking is a node to run docking and scoring experiments using the Lead Finder™ docking algorithm, now fully integrated in Flare.
Launches Flare™ to view ligand and protein structures.
Runs a Python script using pyflare. The scripts have access to Flare™ Python API.
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