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3D QSAR (MOE Extensions)

3D QSAR (MOE Extensions)
See documentation of MOE Extensions for KNIME for details.The documentaion is available for download at https://svl.chemcomp.com.The MOE Extensions for KNIME are available from the KNIME Partner Update Site, The SVL based nodes are available from the SVL Exchange at https://svl.chemcomp.com.For questions contact CCG Support support@chemcomp.com Spacing: 2 angstroemMargin: 4.5 angstroem>0.15PLS ModelView Results90%90%AM1-BCCchargesAM1-BCCchargesTraining SetTest Set MISSING 3DGrid Generator Low Variance Filter Linear RegressionLearner ReferenceColumn Filter RegressionPredictor InteractiveTable (local) PCA Compute PCA Apply PCA Apply Linear Correlation Split CollectionColumns MISSING 3D Csp3+Grid Probe MISSING 3D Csp3+Grid Probe Split CollectionColumns MISSING Read MDB MISSING Read MDB See documentation of MOE Extensions for KNIME for details.The documentaion is available for download at https://svl.chemcomp.com.The MOE Extensions for KNIME are available from the KNIME Partner Update Site, The SVL based nodes are available from the SVL Exchange at https://svl.chemcomp.com.For questions contact CCG Support support@chemcomp.com Spacing: 2 angstroemMargin: 4.5 angstroem>0.15PLS ModelView Results90%90%AM1-BCCchargesAM1-BCCchargesTraining SetTest Set MISSING 3DGrid Generator Low Variance Filter Linear RegressionLearner ReferenceColumn Filter RegressionPredictor InteractiveTable (local) PCA Compute PCA Apply PCA Apply Linear Correlation Split CollectionColumns MISSING 3D Csp3+Grid Probe MISSING 3D Csp3+Grid Probe Split CollectionColumns MISSING Read MDB MISSING Read MDB

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

Download Workflow
Created by: Guido
Created at: 2019-08-12
On NodePit since: 2022-08-03
Last update: 2024-12-28
Created with KNIME version: v4.5.2
Tags: 3D-QSARQSARMOECheminformatics

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