Skip to main content
. Author manuscript; available in PMC: 2011 Jul 26.
Published in final edited form as: J Chem Inf Model. 2010 Jul 26;50(7):1205–1222. doi: 10.1021/ci100010v

Figure 12.

Figure 12

Cumulative extreme value distribution Fmax(t) computed on a random sample of D = 100,000 molecules from the ChemDB, conditioned on different values of A, using 100 query molecules at each value of A. The solid blue curve represents the values obtained using Equation 50 applied with the empirical distribution F(t) of the scores. The dashed red line shows the corresponding Weibull distribution obtained using the polynomial fit for the parameters σ and ξ as a function of A (solid red line in Figure 11).