. Author manuscript; available in PMC: 2008 Aug 29.

Published in final edited form as: J Chem Inf Model. 2007 Feb 28;47(2):302–317. doi: 10.1021/ci600358f

Table 1.

Comparison between predicted and empirical values of the curves in Figure 10 as a function of fingerprint length when the threshold approaches 1 (here t = 0.9). Predicted values are derived from Equation 37. The distribution g_{N_*} is approximated with a Gaussian with mean=138.68, and standard deviation 53.24, estimated from the ChemDB.

N	Empirical f	Predicted Value (Equation 37)	Percent Error
1024	0.8345	0.835	0.06%
512	0.8226	0.8223	0.04%
256	0.7949	0.793	0.24%
128	0.7236	0.7148	1.22%
64	0.5057	0.4979	1.54%