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. 2022 Nov 28;62(24):6309–6315. doi: 10.1021/acs.jcim.2c01199

Table 2. Summary of the Number of Data Points and Unique Compounds for the Different Types of Biological Activities Common to (A) or Distinctive between (B) ChEMBL and PubChem.

(A)	ChEMBL		PubChem
activity type	no. of data points	no. of unique compounds	no. of data points	no. of unique compounds
IC₅₀	4039	3327	4068	3331
K_d	552	394	841	400
K_i	851	824	106	103
EC₅₀	5	3	12	5
GI₅₀	14	7	14	7
activity	591	431	45	29
inhibition	2200	1617	12	12
ratio	45	12	1	1
total	8297	6615	5099	3888

(B)	ChEMBL		PubChem
activity type	no. of data points	no. of unique compounds	no. of data points	no. of unique compounds
NULL	NA^a	NA^a	360255	358770
% control	110	110	NA^a	NA^a
Delta Tm	41	37	NA^a	NA^a
FC	13	8	NA^a	NA^a
residual activity	331	167	NA^a	NA^a
total	495	322	360255	358770

^a

NA, not available.