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Code to accompany "Practical Cheminformatics With Open Source Software"

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EFMC

Code to accompany "Practical Cheminformatics With Open Source Software". The links below will launch the Jupyter notebooks on Google Colab.

Tutorial 1 - A quick introduction to the RDKit and Jupyter notebooks

Tutorial 2 - Building a classification model

Tutorial 3 - Building a regression model

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Code to accompany "Practical Cheminformatics With Open Source Software"

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