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Table 1 Number of chemicals included in the TS and the ES for each toxicity class

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

 

Training set (TS)

Evaluation set (ES)

#

Class 1

Class 2

Class 3

Class 4

Class 5

#

Class 1

Class 2

Class 3

Class 4

Class 5

LD50

6279

–

–

–

–

–

2169

–

–

–

–

–

vT

8462

703

7759

–

–

–

2888

242

2646

–

–

–

nT

8402

4779

3623

–

–

–

2884

1651

1233

–

–

–

EPA

8259

703

1806

4142

1608

–

2859

242

643

1421

553

–

GHS

8331

165

538

1089

2916

3623

2879

58

184

391

1013

1233

  1. Hazard categories for the two multi-class modeled endpoints (EPA and GHS classes) are sorted for decreasing toxicity, from 1 to 5. For the vT classification, class 1 corresponds to the positive (i.e., very toxic) compounds, while for the nT endpoint class 1 corresponds to the negative (i.e., toxic) compounds