Node Connectivity

There are 3449 nodes that can be used as predessesor for a node with an input port of type Table.

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.

pyflare 

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

RDKit From Molecule 

Generates RDKit molecules from a molecule string representation (SMILES, SDF or SMARTS).

RDKit To Molecule Streamable

Converts RDKit molecules into string based molecule representations (SDF or Smiles).

RDKit From InChI Streamable

Converts InChI codes to RDKit molecules.

RDKit To InChI Streamable

Converts RDKit molecules into InChI Codes and optionally also into InChI Keys.