March 8, 9, 10, 11: 5 PM - 6:15 PM UTC +1 (Berlin)
March 12, 2021: 5 PM - 5:15 PM UTC +1 (Berlin)


During this online course you’ll learn to build interactive cheminformatics workflows using KNIME Analytics Platform and its Cheminformatics Extensions. The hands-on training will contain several units where we'll cover a diverse set of topics such as data manipulation and interactive filtering, fingerprints and R-group decomposition, similarity searches and clustering, and data visualization and exploration. After completing this course you'll have a set of fully functional workflows and will have learned how to build your own.

This is an instructor-led course consisting of four 75-minute online sessions, each session has an exercise for you to complete at home, we will go through the solution at the start of the following session. The course concludes with a 15-minute wrap up session.

Course Content
• Session 1: Exploring Chemical Data
• Session 2: R Group Decomposition
• Session 3: Clustering
• Session 4: Similarity Search

The course fee is 50€ + VAT.

Learning goals:
Usage of KNIME for cheminformatics, Data Manipulation, Visualization, Exploration, Similarity Search

We assume that you have basic KNIME knowledge already but you don't need to be an expert.
You need your own laptop, ideally pre-installed with the latest version of KNIME Analytics Platform, which you can download at

Cheminformatics, Molecules, Similarity, KNIME, Exploration


Alexander Fillbrunn
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