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
|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|
You’ll receive a zoom link with your registration confirmation. Make sure you have a stable internet connection!
Yes, we will have a Q&A and we'll do our best to answer these at the end of the workshop.
Download the latest free, open source version of knime here: knime.com/download