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. 2011 Nov 23;25(12):1095–1106. doi: 10.1007/s10822-011-9478-1

Table 4.

Accuracies (raw and validated) of the best models and prediction systems with up to 4 descriptors constructed using a beam feature search in combination with random forest learners

natts Descriptor names Accuracytrees=5 Accuracybs, n=100
4 TPSA, I3, QSUMN, QSUMN/Weight 1.000 0.878
3 TPSA, QSUMN, QSUMN/Weight 0.985 0.868
2 TPSA, QSUMN 0.970 0.864
1 TPSA 0.926 0.834