Building a Drug Discovery Workflow in 8+1 steps with KNIME

May 7, 2020 - Online

This workshop will focus on how cheminformatics tools can be used in chemical research and development related use cases. Following a brief introduction of how ChemAxon tools can be used in the KNIME Analytics Platform, we’ll build a workflow that is typically used in early phase drug discovery projects. During the workshop you’ll learn how clustering, library enumeration, property prediction, fast chemical structure search, and model building can be used together in KNIME.

By the end of the workshop we’ll generate an extended collection of compounds that are easily accessible within the desirable chemical property space and that can be used as starting points in a quest for new bioactive compounds.

This workshop is run by Dora Barna & Norbert Sas (ChemAxon).


We're keeping the KNIME Community connected throughout April and May by bringing you a series of online events. Find more here:

More online workshops

April 9 KNIME Text Mining with NER Modeling and Deep Learning
April 16 Sharing & Deploying Data Science with KNIME Server
April 21 Working with the RDKit in KNIME Analytics Platform
April 23 Time Series Analysis Workshop
April 28 Text Mining on Biomedical Literature - Today: Topic Modeling
April 30 Guided Labeling: Human-in-the-Loop Label Generation with Active Learning & Weak Supervision
May 5 Behind the Scenes of Machine Learning
May 12 Deep Learning for Image Analysis
May 14 KNIME Big Data Workshop
May 19 GDPR Compliance through Advanced Anonymization Techniques


How do I join the workshop?

You’ll receive a zoom link with your registration confirmation. Make sure you have a stable internet connection!

Will I be able to ask questions?

Yes, we will have a Q&A and we'll do our best to answer these at the end of the workshop.

Where do I find the latest version of KNIME Analytics Platform?

Download the latest free, open source version of knime here: knime.com/download

What other resources will help me to get started in KNIME?