There are 3449 nodes that can be used as predessesor for a node with an input port of type Table.
FieldTemplater™ is a tool for comparing molecules using their electrostatic and hydrophobic fields in order to find common patterns.
The Spark™ Fragment Selector takes the first molecule in the input and displays a dialog which allows the user to select the region of the molecule to […]
Spark™ is a bioisostere replacement tool which by selecting a moiety to be replaced in a given 'starter molecule' generates a list of new molecules […]
XedMin™ is a tool to minimize molecules using the Cresset XED force field.
Wrapper around the XedeX™ command line conformation generator using the Cresset XED force field.
Generates a Flare™ 3D QSAR model for activity from a set of aligned molecules. Training set molecules are used to derive a set of 'sample positions' […]
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.
Extracts information on the selected (Q)SAR model from a Flare™ project.
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