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Category: RDKit

RDKit in Jupyter Notebooks

RDKit in Jupyter Notebooks

The Jupyter Notebook is an open-source web application that allows the creation and sharing of documents that can contain embedded Python code, and, data visualizations in SVG (Scalable Vector Graphics), and text. When analyzing data that has an associated molecular structure, it would be useful to visualize the structure within the current Jupyter notebook page rather than finding the record in the dataset and copy/pasting the raw structure format into another application. RDKit is an open source cheminformatics software toolkit…

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