Table 5.
Predicting Human Potency (Strong, Weak, Non-sensitizers) | ||||||
---|---|---|---|---|---|---|
Defined Approach: |
Kao
STS |
Kao
ITS |
Shiseido ANN (D_hC) |
Shiseido ANN (D_hC_KS) |
P&G BN ITS-3 |
LLNA |
N | 126 | 120 | 126 | 126 | 115 | 128 |
Accuracy (%)* | 63.5 | 69.2 | 61.1 | 62.7 | 54.8 | 59.4 |
Over-predicted (%) | 22.2 | 13.3 | 22.2 | 25.4 | 20.0 | 19.5 |
Under-predicted (%) | 14.3 | 17.5 | 16.7 | 11.9 | 25.2 | 21.1 |
Performance was assessed for prediction of three potency classes as described in the main text, and is shown against the maximum subset (N) out of 128 substances with all necessary DA features. With the exception of the P&G BN ITS-3, all misclassifications varied by one class only (i.e. no non-sensitizers were predicted as strong sensitizers or vice versa). Abbreviations: STS: sequential testing strategy, ITS: integrated testing strategy, SVM: support vector machine, ANN: artificial neural network, BN: Bayesian network, DKH and D_hC_KS: DPRA/hCLAT/KeratinoSens™, D_hC: DPRA/hCLAT