### Neurotoxicity LDA model

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

Prediction statistics
Endpoint | Concordance | Sensitivity | Specificity | #chemicals
--- | --- | --- | --- | ---
Fathead minnow LC50 (96 hr) | 0,961 (733 out of 763) | 0,707 (70 out of 99) | 0,998 (663 out of 664) | 763

Model coefficients
Coefficient | Definition | Value | Uncertainty*
--- | --- | --- | ---
Intercept | Model intercept | -0,0710 | 0,0162
SsssCH_acnt | Count of ( > CH – ) (SsssCH_acnt) | 0,0344 | 0,0073
ic | Information content | 0,0051 | 0,0016
MDEC34 | Molecular distance edge between all tertiary and quaternary carbons | 0,0557 | 0,0092
nR05 | Number of 5-membered rings | -0,1021 | 0,0233
SRW07 | Self-returning walk count of order 7 | 0,0010 | 0,0001
ALOGP2 | Ghose-Crippen octanol water coefficient squared | 0,0055 | 0,0010
-O- (epoxide) | -O- (epoxide) fragment count | -0,4587 | 0,1282

* value for 90% confidence interval

Model equation:
Neurotoxicity score = 0,0344×(SsssCH_acnt) + 0,0051×(ic) + 0,0557×(MDEC34) - 0,1021×(nR05) + 0,0010×(SRW07) + 0,0055×(ALOGP2) - 0,4587×(-O- (epoxide)) - 0,0710

Neurotoxicity LDA fit results by chemical Neurotoxicity LDA training set descriptors