Profiling and analysis of chemical compounds using pointwise mutual information

Table 3 Overlaps between compound sets

	DrugBank	ChEMBL	PubChem	ZINC
DrugBank	6496	0.307%	0.008%	0.002%
ChEMBL	4647	1,512,302	1.895%	0.279%
PubChem	5854	1,313,209	69,081,967	6.280%
ZINC	3421	443,794	13,412,856	157,914,301

The counts of unique overlapping compounds are shown in the lower triangle, compound set size on the diagonal and the overlap between two compound sets, given as the Jaccard index, in the upper triangle. The Jaccard index J(A, B) between compound sets A and B is calculated as the size of the intersection between A and B divided by the size of the union of A and B: \(J(A,B)=\frac{\left|A \cap B\right|}{\left|A \cup B\right|}\)

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