Expand Bit Vector
This node splits the Bit Vector to integer columns.
The Bit Vector Generator node generates some position and name information as metadata. You can use that information in this node.
- Type: Data Table containing at least one bit vector column.
- Type: Data Table with generated columns.
Model Optimization and SelectionThis workflow deploys an advanced parameter optimzation protocol with four machine learning methods. In this implementat…shima0011 > 04_Analytics > 11_Optimization > 08_Model_Optimization_and_Selection
Validating KNIME Workflowsreproducibility validation testing XGBoost RDKitThis workflow demonstrates how to take a standard KNIME workflow and adapt it to be deployable as a web service using th…knime > Examples > 50_Applications > 51_Model_Deployment_and_Validation > 01_Deploying_and_Validating_models_as_WebServices
TeachOpenCADD Workflow 7: Ligand-based screening: Machine learningLigand-based screening Machine learning Random forest Support vector machine Artificial neural networksWith the continuously increasing amount of available data, machine learning (ML) gained momentum in drug discovery and e…volkamerlab > TeachOpenCADD_Workflow7_Machine_learning > TeachOpenCADD_Workflow7_Machine_learning
Model Optimization and SelectionThis workflow deploys an advanced parameter optimzation protocol with four machine learning methods. In this implementat…knime > Examples > 04_Analytics > 11_Optimization > 08_Model_Optimization_and_Selection
03_Bioactivity_Prediction_Learn_Testingparameter optimization loop machine learningThis workflow is used for learning the model. It deploys a simple version of parameter optimzation protocol designed for…knime > Examples > 50_Applications > 37_Monster_Model_Factory > Process > _Process_Step_Templates > workflows > Templates > 03_Bioactivity_Prediction_Learn_Testing
TeachOpenCADD - a teaching platform for computer-aided drug design using KNIMEChEMBL query PDB query Molecular filtering Unwanted substructures Lipinski's rule of five Similarity search Compound clustering Maximum common substructure Machine learningThe TeachOpenCADD KNIME pipeline consists of eight inter-connected workflows (W1-8) , each containing one topic in compu…volkamerlab > TeachOpenCADD > TeachOpenCADD
Generate ChEMBL Predictionsgreglandrum > In progress > ONNX > Generate ChEMBL Predictions
03_Bioactivity_Prediction_Learn_All_MethodsThis workflow is used for learning the model. It deploys a complex parameter optimzation protocol for model building whe…knime > Examples > 50_Applications > 37_Monster_Model_Factory > Process > _Process_Step_Templates > workflows > Templates > 03_Bioactivity_Prediction_Learn_All_Methods