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Table 3 Interpretation of ‘series_no’ encoding as part of the output from homologous series detection. N+1 is the number of homologous series that were detected by OngLai in a given dataset

From: An algorithm to classify homologous series within compound datasets

Series_no

Interpretation

0–N

Molecules that form homologous series

–1

Molecules with no repeating units matches of minimum chain length specified

–2

Molecules made purely of repeating units

–3

Molecules that have repeating units matches of minimum chain length specified but that do not form series (unique cores)