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Automatic Analog Generation With Common R-group Replacements | Practical Cheminformatics

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# Automatic Analog Generation With Common R-group Replacements | Practical Cheminformatics Use data from a recently published database to generate close analogs [https://patwalters.github.io/practicalcheminformatics/jupyter/chembl/2021/07/05/replace-rgroups.html](https://patwalters.github.io/practicalcheminformatics/jupyter/chembl/2021/07/05/replace-rgroups.html)

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Building a multiclass classification model | Practical Cheminformatics

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# Building a multiclass classification model | Practical Cheminformatics Data cleaning, adding structures to PubChem data, building a multiclass model, dealing with imbalanced data [https://patwalters.github.io/practicalcheminformatics/jupyter/multiclass/pubchem/imbalanced/2021/08/28/multiclass-classification.html](https://patwalters.github.io/practicalcheminformatics/jupyter/multiclass/pubchem/imbalanced/2021/08/28/multiclass-classification.html)

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Assessing Interpretable Models | Practical Cheminformatics

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# Assessing Interpretable Models | Practical Cheminformatics Understanding and comparing the rationale behind machine learning model predictions [https://patwalters.github.io/practicalcheminformatics/jupyter/ml/interpretability/2021/06/03/interpretable.html](https://patwalters.github.io/practicalcheminformatics/jupyter/ml/interpretability/2021/06/03/interpretable.html)

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# Fast Parallel Cheminformatics Workflows With Dask | Practical Cheminformatics Acclerate you workflows with a couple of lines of code. [https://patwalters.github.io/practicalcheminformatics/jupyter/dask/parallel/2021/03/28/dask-cheminformatics.html](https://patwalters.github.io/practicalcheminformatics/jupyter/dask/parallel/2021/03/28/dask-cheminformatics.html)

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