Icon

BindingDB_​FMCT-Fingerprint+MCS

Workflow that uses the a single RDKitfingerprint metric to sortcompound similarities, and then re-sorts thetop of the list based onMCS similarity to predict targets for acompound of interest.Similarity ThresholdAffinity CutoffPredict Targets of my CompoundRead fingerprintdataInput Compoundfingerprint + MCS Double Input (legacy)(deprecated) Double Input (legacy)(deprecated) MarvinView Table Reader MarvinSketch Multi-compoundComparison Workflow that uses the a single RDKitfingerprint metric to sortcompound similarities, and then re-sorts thetop of the list based onMCS similarity to predict targets for acompound of interest.Similarity ThresholdAffinity CutoffPredict Targets of my CompoundRead fingerprintdataInput Compoundfingerprint + MCSDouble Input (legacy)(deprecated) Double Input (legacy)(deprecated) MarvinView Table Reader MarvinSketch Multi-compoundComparison

Nodes

Extensions

Links

Download

To use this workflow in KNIME, download it from the below URL and open it in KNIME:

Download Workflow
Created by: nicola
Created at: 2014-11-18
On NodePit since: 2019-07-12
Last update: 2024-04-15
Created with KNIME version: v3.7.1

Deploy, schedule, execute, and monitor your KNIME workflows locally, in the cloud or on-premises – with our brand new NodePit Runner.

Try NodePit Runner!