## Predicted Daphnia magna LC50 (48 hr) for C27H32O15_1595688851982 from Nearest neighbor method

Prediction results
Endpoint | Experimental value | Predicted value
--- | --- | ---
Daphnia magna LC50 (48 hr) -Log10(mol/L) | N/A | 8,57
Daphnia magna LC50 (48 hr) mg/L | N/A | 1,60E-03

Individual Predictions
Method | Predicted value -Log10(mol/L)
--- | ---
Hierarchical clustering | N/A
Single model | N/A
Group contribution | N/A
FDA | 8,46
Nearest neighbor | 8,69

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.

CAS | Structure | Similarity Coefficient | Experimental value -Log10(mol/L) | Predicted value -Log10(mol/L)
--- | --- | --- | --- | ---
C27H32O15_1595688851982 (test chemical) |  |  | N/A | 8,57
3179-90-6 |  | 0,68 | 3,84 | N/A
2536-31-4 |  | 0,54 | 5,28 | N/A
52645-53-1 |  | 0,53 | 7,21 | N/A
39515-41-8 |  | 0,53 | 8,17 | N/A
514-10-3 |  | 0,53 | 5,10 | 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 | 0,65
Similarity coefficient ≥ 0.5 | 0,49

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

CAS | Structure | Similarity Coefficient | Experimental value -Log10(mol/L) | Predicted value -Log10(mol/L)
--- | --- | --- | --- | ---
C27H32O15_1595688851982 (test chemical) |  |  | N/A | 8,57
70124-77-5 |  | 0,69 | 8,98 | N/A
83-79-4 |  | 0,67 | 7,82 | 7,04
66230-04-4 |  | 0,65 | 9,26 | 8,64
17109-36-3 |  | 0,64 | 7,69 | N/A
68359-37-5 |  | 0,60 | 8,60 | 8,53
66-76-2 |  | 0,59 | 4,82 | N/A
6491-02-7 |  | 0,59 | 6,08 | N/A
33878-50-1 |  | 0,58 | 5,68 | N/A
70-30-4 |  | 0,58 | 7,29 | N/A
79-95-8 |  | 0,57 | 5,44 | N/A