Models

This category contains 9 nodes.

Forge Build Activity Atlas 

Generates an Activity Atlas™ for activity from a set of aligned molecules.

Forge Build Field QSAR 

Generates a Forge™ 3D QSAR model for activity from a set of aligned molecules. Training set molecules are used to derive a set of 'sample positions' […]

Forge Build k Nearest Neighbor (kNN) Deprecated

Generates a k Nearest Neighbor (kNN) QSAR model for activity from a set of either 3D aligned molecules or 2D molecules.

Forge Build Machine Learning 

Generates a Forge™ Machine Learning regression or classification model for activity from a set of molecules.

Forge Model Info 

Extracts information on the selected (Q)SAR model from a Forge™ project.

Forge Score Activity Atlas 

Calculates the Novelty of molecules using an Activity Atlas™ model generated with Forge™ or the 'Forge Build Activity Atlas' node.

Forge Score Field QSAR 

Calculates predicted activity for molecules using a field 3D-QSAR model generated with Forge™ or the 'Forge Build Field QSAR' node.

Forge Score k Nearest Neighbor (kNN) Deprecated

Calculates predicted activity for molecules using a k-nearest neighbor (kNN) model generated with Forge or the 'Forge Build k Nearest Neighbor (kNN)' node. […]

Forge Score Machine Learning 

Calculates predicted activity for molecules using a Machine Learning model generated with Forge or the Forge™ Build Machine Learning node. Except […]