Table 4 Summary statistics of detected homologous series with CH2 repeating units in the three datasets. The algorithm’s default settings were used, as listed in Table 2. Full details and results are available in Additional file 1: Sect. 2
From: An algorithm to classify homologous series within compound datasets
|  | NORMAN-SLE (n = 98,116) | PubChemLite (n = 392,465) | COCONUT (n = 407,270) |
|---|---|---|---|
No. of homologous series detected | 2098 | 12,105 | 5329 |
No. of molecules classified as members of homologous series | 8775 | 82,476 | 18,528 |
No. of molecules consisting purely of CH2 repeating units | 0 | 0 | 0 |
No. of molecules containing CH2 repeating units but not forming homologous series (unique cores) | 10,778 | 35,111 | 36,864 |
No of molecules not containing CH2 repeating units | 78,559 | 274,861 | 351,527 |
No of molecules discarded from analysis (failed sanitation) | 4 | 17 | 351 |