`molprop-series`

Series analytics from a results CSV: Murcko scaffold grouping and similarity clustering. Useful for summarizing series behavior, identifying redundant analogs, and finding diverse representatives.

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Typical usage

molprop-series results.csv

What it outputs

A timestamped output directory (under series/) with enriched CSV(s) and summary tables. Exact contents depend on options and available columns.

Tip

Run series analytics after generating a wide calculator table so you can explore scaffold/cluster behavior alongside MPO, oral filters, risk flags, and developability columns.