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Server

This directory contains 6 workflows.

IconAutoQSAR - on KNIME 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.

IconDocking - on KNIME server 

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

IconQikProp - on KNIME server 

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

IconRandom forest - on KNIME server 

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

IconServer setup diagnosis - on KNIME server 

Run installation checking and debugging. Trick included: The Global timer info node is used to check the extension features installed.

IconTest - on KNIME server 

Test workflow to be run on a KNIME server.