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Cheminformatics Meta-Analysis

Cheminformatics Meta-Analysis
Node 2Node 5Node 6Node 4Node 11Node 139Node 142Node 1Node 3Node 10Node 12Node 723Node 14Node 725Node 726Node 727Node 728Node 730Node 736Node 737Node 739Node 740Node 741Node 742Node 750Node 751Node 752Node 753Node 758Node 759Node 760Node 761Node 762Node 763Node 764Node 13Node 771Node 7Node 773Node 8Node 9Node 777Node 778OpenBabel RDKit Fingerprint FingerprintsExpander RDKit DescriptorCalculation Column Filter Numeric Scorer XGBoost Predictor(Regression) Excel Reader (XLS) Cell Splitter Partitioning Column Filter Model Writer XGBoost Tree EnsembleLearner (Regression) ReferenceColumn Filter ReferenceColumn Filter Row Splitter Concatenate XGBoost Predictor(Regression) Preparation of theDrug Repurposing Hub Preparation of theInvestigated Drugs Model Writer XGBoost Predictor(Regression) Numeric Scorer XGBoost Predictor(Regression) CSV Writer CSV Writer CSV Writer CSV Writer XGBoost Tree EnsembleLearner (Regression) Concatenate Rank CSV Writer Excel Writer (XLS) Column Filter Column Resorter Hyperparametrization_ExceptpIC50 Hyperparametrization Column Filter Column Filter Cell Splitter Math Formula(Multi Column) Column Filter ReferenceRow Filter Node 2Node 5Node 6Node 4Node 11Node 139Node 142Node 1Node 3Node 10Node 12Node 723Node 14Node 725Node 726Node 727Node 728Node 730Node 736Node 737Node 739Node 740Node 741Node 742Node 750Node 751Node 752Node 753Node 758Node 759Node 760Node 761Node 762Node 763Node 764Node 13Node 771Node 7Node 773Node 8Node 9Node 777Node 778OpenBabel RDKit Fingerprint FingerprintsExpander RDKit DescriptorCalculation Column Filter Numeric Scorer XGBoost Predictor(Regression) Excel Reader (XLS) Cell Splitter Partitioning Column Filter Model Writer XGBoost Tree EnsembleLearner (Regression) ReferenceColumn Filter ReferenceColumn Filter Row Splitter Concatenate XGBoost Predictor(Regression) Preparation of theDrug Repurposing Hub Preparation of theInvestigated Drugs Model Writer XGBoost Predictor(Regression) Numeric Scorer XGBoost Predictor(Regression) CSV Writer CSV Writer CSV Writer CSV Writer XGBoost Tree EnsembleLearner (Regression) Concatenate Rank CSV Writer Excel Writer (XLS) Column Filter Column Resorter Hyperparametrization_ExceptpIC50 Hyperparametrization Column Filter Column Filter Cell Splitter Math Formula(Multi Column) Column Filter ReferenceRow Filter

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

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Created by: inrp
Created at: 2020-12-07
On NodePit since: 2021-11-24
Last update: 2024-04-20
Created with KNIME version: v4.2.3
Tags: Drug DiscoveryDrug DesignCheminformaticsComputer-Aided Drug DesignCADDMeta-Analysis

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