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. 2021 Jul 16;12(8):1428–1441. doi: 10.1039/d1md00138h

CID intersections between experimental and calculated probes for selected PubChem sources, ranked by the number of experimental probe matches. Note that most of these results can alternatively be read off directly from the P&D portal and give the same or close numbers. The total column represents a number of distinct compounds in the respective sources.

Source Total Experimental Calculated
PubChem 109 818 005 915 3557
BioAssays – active 1 457 929 800 3487
Vendors 59 867 622 784 810
ChEMBL 2 067 192 770 3519
Patents 39 401 959 652 2227
MLSMR 406 097 622 416
BindingDB 975 228 608 3331
GtoPdb 8705 305 335
PDBe 33 543 242 287
Chemical Probes Portal 467 186 131
BioAssays Probes 223 152 2