### Model # 8823

Prediction statistics
Endpoint | Concordance | Sensitivity | Specificity | #chemicals
--- | --- | --- | --- | ---
Mutagenicity | 0,866 (58 out of 67) | 0,958 (46 out of 48) | 0,632 (12 out of 19) | 67

Model coefficients
Coefficient | Definition | Value | Uncertainty*
--- | --- | --- | ---
Intercept | Model intercept | 0,7235 | 0,1094
SdsCH_acnt | Count of ( = CH – ) (SdsCH_acnt) | -0,5377 | 0,3210
ic | Information content | -0,0138 | 0,0115
MDEO22 | Molecular distance edge between all secondary oxygens | -1,3411 | 0,7725
MATS5v | Moran autocorrelation - lag 5 / weighted by atomic van der Waals volumes | 0,9359 | 0,4432
-O- [2 aromatic attach] | -O- [2 aromatic attach] fragment count | 0,4023 | 0,3602
C=O(ketone, aliphatic attach) | C=O(ketone, aliphatic attach) fragment count | 0,7296 | 0,4855
-COOH [aromatic attach] | -COOH [aromatic attach] fragment count | -0,4598 | 0,3547

* value for 90% confidence interval

Model equation:
Mutagenicity = -0,5377×(SdsCH_acnt) - 0,0138×(ic) - 1,3411×(MDEO22) + 0,9359×(MATS5v) + 0,4023×(-O- [2 aromatic attach]) + 0,7296×(C=O(ketone, aliphatic attach)) - 0,4598×(-COOH [aromatic attach]) + 0,7235

Model 8823 fit results by chemical Model 8823 training set descriptors