Skip to main content

Advertisement

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