Table 2 The breakdown of the major PubChemLite versions by InChIKey First Blocks (IKFB) and CIDs
From: Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag
18 Nov 2019 | 14 Jan 2020 | 31 Oct 2020 | |||
|---|---|---|---|---|---|
Tier0 | Tier1 | Tier0 | Tier1 | Exposomics | |
PubChemLite (by IKFB) | 315,842 | 361,556 | 316,810 | 363,911 | 371,663 |
Eliminated (by IKFB) | 12,056 | 12,762 | 11,979 | 12,682 | 12,971 |
Total (by IKFB) | 327,898 | 374,318 | 328,789 | 376,593 | 384,634 |
Parent CIDs (or CID, if no parent) | 377,278 | 430,246 | 378,581 | 432,645 | 431,067 |
CIDs with desired annotation | 402,746 | 458,621 | 405,285 | 462,356 | 462,838 |