Table 3 The number of substitution pairs (Npairs) and the quantity of resulting compounds (Ncompounds) as a function of the threshold (t), starting from the initial set of 9524 compounds.

From: Predicting stable crystalline compounds using chemical similarity

t Npairs Ncompounds
70% 7 214
60% 16 214
50% 47 824
40% 118 1469
30% 200 1957
20% 346 12,007
10% 626 35,579
5% 992 73,375
4% 1111 87,738
3% 1281 104,508
2% 1556 142,617
1% 2235 234,385
0.75% 2554 277,111
0.5% 3008 341,180