Predicted Daphnia magna LC50 (48 hr) for C15H10O6_1595687149854 from Nearest neighbor method

## Predicted Daphnia magna LC50 (48 hr) for C15H10O6_1595687149854 for Nearest neighbor method

Prediction results
Endpoint | Experimental value | Predicted value
--- | --- | ---
Daphnia magna LC50 (48 hr) -Log10(mol/L) | N/A | 5,12
Daphnia magna LC50 (48 hr) mg/L | N/A | 2,15

Nearest neighbors from the training set
CAS | Structure | Experimental value -Log10(mol/L) | Similarity Coefficient
--- | --- | --- | ---
C15H10O6_1595687149854 (test chemical) |  | N/A |
56-53-1 |  | 5,37 | 0,67
60-54-8 |  | 6,43 | 0,62
57-62-5 |  | 3,57 | 0,62

Descriptor values for test chemical

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

Note: No chemicals in the test set exceed a minimum similarity coefficient of 0.5 for comparison purposes

## 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 | 0,65
Similarity coefficient ≥ 0.5 | 0,93

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

CAS | Structure | Similarity Coefficient | Experimental value -Log10(mol/L) | Predicted value -Log10(mol/L)
--- | --- | --- | --- | ---
C15H10O6_1595687149854 (test chemical) |  |  | N/A | 5,12
56-53-1 |  | 0,67 | 5,37 | 6,07
60-54-8 |  | 0,62 | 6,43 | N/A
57-62-5 |  | 0,62 | 3,57 | N/A
81-81-2 |  | 0,57 | 2,96 | N/A
134308-13-7 |  | 0,56 | 4,14 | N/A
126-07-8 |  | 0,56 | 2,51 | N/A
80-05-7 |  | 0,54 | 4,30 | 5,47
3380-34-5 |  | 0,54 | 6,11 | N/A
50-28-2 |  | 0,51 | 4,96 | N/A
37517-30-9 |  | 0,51 | 3,82 | N/A