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On KNIME server

This directory contains 7 workflows.

Icon_​Server workflow execution 

QikProp property prediction to be run on a KNIME server. [Requires: LigPrep, QikProp]

IconAutoQSAR - on Server 

Generate QSAR models for a chosen property of a set of compounds, and apply the QSAR model to other compounds, with traditional QSAR methods.

IconDisgnostics - on Server 

Test workflow to be run on a KNIME server.

IconDocking - on Server 

Docking to be run on a KNIME server. [Requires: LigPrep, Glide]

IconKNIME server file path 

Test workflow to be run on a KNIME server.

IconQikProp - on Server 

QikProp property prediction to be run on a KNIME server. [Requires: LigPrep, QikProp]

IconSimple test - on Server 

Test workflow to be run on a KNIME server.