### Narcosis LDA model

This model determines the likelihood of the Narcosis mode of action in terms of a discriminant score.

Prediction statistics
Endpoint | Concordance | Sensitivity | Specificity | #chemicals
--- | --- | --- | --- | ---
Fathead minnow LC50 (96 hr) | 0,820 (626 out of 763) | 0,885 (284 out of 321) | 0,774 (342 out of 442) | 763

Model coefficients
Coefficient | Definition | Value | Uncertainty*
--- | --- | --- | ---
Intercept | Model intercept | 1,1616 | 0,1286
xvp3 | Valence 3rd order path chi index | -0,0438 | 0,0107
SdsssP_acnt | Count of (dsssP ) (SdsssP_acnt) | -0,4073 | 0,0648
Ms | Mean electrotopological state | -0,1513 | 0,0453
MATS3e | Moran autocorrelation - lag 3 / weighted by atomic Sanderson electronegativities | 0,2189 | 0,0746
SRW07 | Self-returning walk count of order 7 | -0,0005 | 0,0001
-NH- [aromatic attach] | -NH- [aromatic attach] fragment count | 0,1638 | 0,0644
-C(=O)O- [nitrogen attach] | -C(=O)O- [nitrogen attach] fragment count | -0,5070 | 0,0797

* value for 90% confidence interval

Model equation:
Narcosis score = -0,0438×(xvp3) - 0,4073×(SdsssP_acnt) - 0,1513×(Ms) + 0,2189×(MATS3e) - 0,0005×(SRW07) + 0,1638×(-NH- [aromatic attach]) - 0,5070×(-C(=O)O- [nitrogen attach]) + 1,1616

Narcosis LDA fit results by chemical Narcosis LDA training set descriptors