Table 1

Summary of the data sets
Ligand # Instances # Attributes # Classes Class Distribution
NADH 2,823 268 (97) 5 205-1020-374-903-321
ETH 3,043 268 (108) 5 160-512-2131-226-14
PIF 3,042 268 (106) 5 7-223-2616-173-23
TCL 2,837 268 (78) 5 19-158-1866-645-149
INH 2,953 268 (89) 5 12-260-2420-175-86
JPM 2,786 268 (80) 5 5-201-1835-323-421

Table 1 presents the summary of the flexible-receptor docking data sets used in the experiments. Number os instances represents the total of valid docking results, out of 3,100. Number of attributes shows the total of selected attributes, in parenthesis, from the initial 268. Class distributions are regarding the five FEB classes, respectively: excellent, good, regular, weak, negligible.

Barros et al.

Barros et al. BMC Bioinformatics 2012 13:310   doi:10.1186/1471-2105-13-310

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