Research Article

Ligand-Based Virtual Screening Using Bayesian Inference Network and Reweighted Fragments

Table 6

The recall is calculated using the top 1% and top 5% of the DS3 data sets when ranked using the TAN, BIN, and BINRF.

Activity index1%5%
TANBINBINRFTANBINBINRF

0924925.09**15.33*15.51*40.21**25.72*29.08*
124557.7*9.37*11.59**19.08**14.65*16.77*
124649.02*8.45*11.67**14.56*16.55*27.1**
3128127.53*18.29*44.48**44*28.29*59.9**
4321011.1**7.34*9.41*26.37**14.41*21.27*
715222.35*4.08*11.39**6.28*8.44*23.62**
7572124.02*20.41*28.24**28.97*30.02*56.39**
783316.27*7.51*10.11**15.79*12.03*18.82**
783484.69*9.79**8.99*13.16*20.76*24.15**
783514.31*13.68*16.64**10.55*12.94*20.16**

Mean12.2111.4216.8021.9018.3829.72

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