/tools/AutomatedSeriesClassification

AutomatedSeriesClassification

rdkit/AutomatedSeriesClassification

24 stars7 forksJupyter NotebookAdded February 5, 2026
summary

AutomatedSeriesClassification is a tool designed for the automated classification of chemical series, leveraging datasets like ChEMBL. It prepares data for analysis and can be used to classify compounds similarly to how medicinal chemists would.

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