Jupyter Notebook for library analysis

Pharmacelera has developed a Jupyter Notebook to help with the analysis of the vHTS results. This Python 3.0 tool uses the RDKit chemical toolbox to calculate different molecular parameters. The information generated is represented in the form of interactive graphs that the user can explore to make better decisions in choosing molecules with better properties.

Read more about Notebook.

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Contact: Luca Sartori
Via G. Ferrari 14, 36100 Vicenza - Italy