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Table 3 rRF and BRF settings

From: SAR and QSAR modeling of a large collection of LD50 rat acute oral toxicity data

Endpoint

Model

iTS

iVS

#descrs

#trees

k

TC

TD

TE

LD50 point estimate

rRF

5028

1251

1352

150

1

–

90th

1.00

nT

BRF

6722

1680

1247

150

1

0.65

100th

–

vT

BRF

6772

1690

1250

100

1

0.65

95th

–

EPA

BRF

6607

1652

1243

100

1

0.40

100th

–

GHS

BRF

6663

1668

1244

100

5

0.30

90th

–

  1. For each model, the size of the internal training set (iTS) and internal validation set (iVS), the number of descriptors (#descrs), the number of trees (#trees) and the tuned parameters for AD definition are indicated