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 […]