## Predicted Fathead minnow LC50 (96 hr) for 520-18-3 from Mode of action method

Prediction results
Endpoint | Experimental value | Predicted value | Prediction interval
--- | --- | --- | ---
Fathead minnow LC50 (96 hr) -Log10(mol/L) | N/A | N/A | N/A
Fathead minnow LC50 (96 hr) mg/L | N/A | N/A | N/A
Mode of action | N/A | Uncoupler |

Results for each mode of action
Mode of action | LDA model score | LC50 predicted value -Log10(mol/L)
--- | --- | ---
Uncoupler (Predicted MOA) LDA Model LC50 Model | 0,88 | 4,28 (Rmax constraint not met)
Narcosis LDA Model LC50 Model | 0,56 | 5,24
Reactivity LDA Model LC50 Model | 0,16 (score < 0.5) | 4,74 (Rmax constraint not met)
AChE inhibition LDA Model LC50 Model | 0,01 (score < 0.5) | 4,96 (Rmax constraint not met)
Neurotoxicity LDA Model LC50 Model | -0,03 (score < 0.5) | 5,46

Test chemical

Descriptor values for test chemical

## Predictions for the test chemical and for the most similar chemicals in the external test set

### If similar test set chemicals were predicted well relative to the entire test set, one has greater confidence in the predicted value.

Chemicals | MAE*
--- | ---
Entire set | 0,68
Similarity coefficient ≥ 0.5 | 1,07

*Mean absolute error in -Log10(mol/L)

CAS | Structure | Similarity Coefficient | Experimental value -Log10(mol/L) | Predicted value -Log10(mol/L)
--- | --- | --- | --- | ---
520-18-3 (test chemical) |  |  | N/A | N/A
3179-90-6 |  | 0,85 | 3,84 | 4,56
97-23-4 |  | 0,74 | 5,94 | 6,05
70-30-4 |  | 0,69 | 7,29 | N/A
79-95-8 |  | 0,68 | 5,44 | 7,56
525-82-6 |  | 0,68 | 4,80 | 4,31
1965-09-9 |  | 0,67 | 4,54 | 5,25
87-17-2 |  | 0,66 | 7,43 | 4,90
17109-36-3 |  | 0,65 | 7,69 | 6,89
80-05-7 |  | 0,64 | 4,69 | 5,75
83-79-4 |  | 0,63 | 7,82 | N/A

## Predictions for the test chemical and for the most similar chemicals in the training set

### If the predicted value matches the experimental values for similar chemicals in the training set (and the similar chemicals were predicted well), one has greater confidence in the predicted value.

Chemicals | MAE*
--- | ---
Entire set | 0,44
Similarity coefficient ≥ 0.5 | 0,31

*Mean absolute error in -Log10(mol/L)

CAS | Structure | Similarity Coefficient | Experimental value -Log10(mol/L) | Predicted value -Log10(mol/L)
--- | --- | --- | --- | ---
520-18-3 (test chemical) |  |  | N/A | N/A
66-76-2 |  | 0,77 | 4,82 | 4,15
133-11-9 |  | 0,75 | 4,68 | 4,91
118-55-8 |  | 0,73 | 5,28 | 4,97
6491-02-7 |  | 0,72 | 6,08 | 5,65
3380-34-5 |  | 0,65 | 6,06 | 6,06
85-68-7 |  | 0,58 | 5,22 | 5,68
66332-96-5 |  | 0,58 | 4,83 | 5,12
59756-60-4 |  | 0,58 | 4,39 | 4,26
51596-11-3 |  | 0,58 | 7,19 | 7,28
51630-58-1 |  | 0,57 | 8,02 | 7,52