Workflow to perform Free-Wilson Analysis. Example is for 2 R groups. Workflow could be adapted for >2 R groups (See highlighted section in the metanode). Workflow needs columns for "Name", "Molecule", and "pEC50". Column names are hard-coded and will fail if the column names are changed. So be mindful of that. Input data could be read from a CSV. SMARTS can be tricky and need the R-groups explictly defined. Python node requires: numpy, pandas, and re. Python scripts are borrowed from Pat Walters (

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