Database List

The Database List node creates references to LigandScout screening databases (ldb). The output table can be used as input for the "IScreen" and "Activity Profiling" nodes.

Options

Active Databases

Input Filename
Screening database (.ldb) that should be used as input for virtual screening or activity profiling. The molecules in this database will be treated as actives, which is relevant for the ROC Curve view and the activity profiling heat map view.

Decoy Databases

Input Filename
Screening database (.ldb) that should be used as input for virtual screening or activity profiling. The molecules in this database will be treated as decoys, which is relevant for the ROC Curve view and the activity profiling heat map view.

Remote Database

Overview
Remote databases are used for virtual screening and activity profiling on remote HPC clusters. This settings tab lists all remote .ldb databases of a connected LigandScout Server instance.
Add to Actives
Adds the selected remote databases to the list of active databases.
Add to Decoys
Adds the selected remote databases to the list of decoy databases.

Input Ports

This node has no input ports

Output Ports

Icon
Table containing the LDB file references. Use as input for the "IScreen" and "Activity Profiling" nodes.

Views

This node has no views

Workflows

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Links

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