### AChE inhibition LDA model

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

Prediction statistics
Endpoint | Concordance | Sensitivity | Specificity | #chemicals
--- | --- | --- | --- | ---
Fathead minnow LC50 (96 hr) | 0,970 (778 out of 802) | 0,995 (213 out of 214) | 0,961 (565 out of 588) | 802

Model coefficients
Coefficient | Definition | Value | Uncertainty*
--- | --- | --- | ---
Intercept | Model intercept | -0,0957 | 0,0563
SdsssP_acnt | Count of (dsssP ) (SdsssP_acnt) | 0,8351 | 0,0320
ic | Information content | -0,0063 | 0,0016
MATS2e | Moran autocorrelation - lag 2 / weighted by atomic Sanderson electronegativities | 0,2566 | 0,0675
GATS2e | Geary autocorrelation - lag 2 / weighted by atomic Sanderson electronegativities | 0,1853 | 0,0662
-O- [2 phosphorus attach] | -O- [2 phosphorus attach] fragment count | -0,6797 | 0,1553
-OH [phosphorus attach] | -OH [phosphorus attach] fragment count | -0,4065 | 0,0966
-NH- [aromatic attach] | -NH- [aromatic attach] fragment count | -0,1073 | 0,0285
-C(=O)O- [nitrogen attach] | -C(=O)O- [nitrogen attach] fragment count | 0,5782 | 0,0344

* value for 90% confidence interval

Model equation:
AChE inhibition score = 0,8351×(SdsssP_acnt) - 0,0063×(ic) + 0,2566×(MATS2e) + 0,1853×(GATS2e) - 0,6797×(-O- [2 phosphorus attach]) - 0,4065×(-OH [phosphorus attach]) - 0,1073×(-NH- [aromatic attach]) + 0,5782×(-C(=O)O- [nitrogen attach]) - 0,0957

AChE inhibition LDA fit results by chemical AChE inhibition LDA training set descriptors