Macs in Chemistry

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KNIME workshop on clustering molecules


The latest RSC CICAG Open-Source Tools for Chemistry Workshop is now on YouTube. RSC CICAG Open Source Tools for Chemistry :- Clustering using KNIME.

Clustering is an invaluable cheminformatics technique for subdividing a typically large compound collection into small groups of similar compounds. One of the advantages is that once clustered you can store the cluster identifiers and then refer to them later, this is particularly valuable when dealing with very large datasets. Clustering is often used in the analysis of high-throughput screening results, or the analysis of virtual screening or docking studies.


There is a comparison of clustering options here.

The previous 14 workshops are available on a CICAG YouTube playlist.

You can still register for next months workshops here

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