### Model # 446

Prediction statistics
Endpoint | Concordance | Sensitivity | Specificity | #chemicals
--- | --- | --- | --- | ---
Developmental Toxicity | 0,884 (76 out of 86) | 0,938 (60 out of 64) | 0,727 (16 out of 22) | 86

Model coefficients
Coefficient | Definition | Value | Uncertainty*
--- | --- | --- | ---
Intercept | Model intercept | -5,4630 | 3,4558
SssO | Sum of ( – O – ) E-States (SssO) | 0,0188 | 0,0158
SssS_acnt | Count of ( – S – ) (SssS_acnt) | -0,5843 | 0,3043
Qsv | Average of Qs and Qv | -0,8757 | 0,3689
MDEC13 | Molecular distance edge between all primary and tertiary carbons | 0,0388 | 0,0351
BEHe1 | Highest eigenvalue n. 1 of Burden matrix / weighted by atomic Sanderson electronegativities | 1,8743 | 0,8709
nR10 | Number of 10-membered rings | -0,2283 | 0,1802
GATS2v | Geary autocorrelation - lag 2 / weighted by atomic van der Waals volumes | -0,5832 | 0,3201
GATS6v | Geary autocorrelation - lag 6 / weighted by atomic van der Waals volumes | 0,1692 | 0,1219
GATS4p | Geary autocorrelation - lag 4 / weighted by atomic polarizabilities | -0,3077 | 0,1995
-C(=O)- [2 nitrogen attach] | -C(=O)- [2 nitrogen attach] fragment count | -0,1914 | 0,1807

* value for 90% confidence interval

Model equation:
Developmental Toxicity = 0,0188×(SssO) - 0,5843×(SssS_acnt) - 0,8757×(Qsv) + 0,0388×(MDEC13) + 1,8743×(BEHe1) - 0,2283×(nR10) - 0,5832×(GATS2v) + 0,1692×(GATS6v) - 0,3077×(GATS4p) - 0,1914×(-C(=O)- [2 nitrogen attach]) - 5,4630

Model 446 fit results by chemical Model 446 training set descriptors