2023_06_Training_Workflows
This directory contains 7 workflows.
BIRT Example Basic
To edit the report: 1) Execute the entire workflow 2) To access the report environment, click the “Open the report” button in the toolbar (make sure […]
Chemistry Basics Visualization
This workflow demonstrates basic cheminformatics functionality within KNIME Analytics platform: Reading and writing various chemistry data formats; […]
Database and Fingerprints
01_Data Access and Transformation. This workflow fetches data from a database and does some preprocessing so that the data can be used for machine learning […]
Database Substructure Search Database
This workflow demonstrates how to do substructure search on a sqlite data base. The input substructure can be given in SMILES and then modified in the […]
Fingerprints Similarity Search
In this exercise we expand our results by finding building blocks similar to those we selected in the previous exercise (03_Clustering). The catalog of […]
Generate Report Save File without Server
This workflow here demos how you can generate a report pdf and automatically save it on the disk, or send it via email. We do this by using the Call […]