### Model # 452

Prediction statistics
Endpoint | Concordance | Sensitivity | Specificity | #chemicals
--- | --- | --- | --- | ---
Developmental Toxicity | 0,841 (191 out of 227) | 0,936 (147 out of 157) | 0,629 (44 out of 70) | 227

Model coefficients
Coefficient | Definition | Value | Uncertainty*
--- | --- | --- | ---
Intercept | Model intercept | 0,5360 | 0,2801
xvch9 | Valence 9th order chain chi index | 14,8609 | 12,2997
SsaaN | Sum of ( saaN ) E-States (SsaaN) | -0,1686 | 0,1540
SHsOH | Sum of ([– OH ]) hydrogen E-States (SHsOH) | -0,0365 | 0,0165
Hmax | Maximum hydrogen E-State value in molecule. | 0,2196 | 0,0975
ib | Information bond index | 0,0101 | 0,0043
MDEN11 | Molecular distance edge between all primary nitrogens | 0,6064 | 0,2997
MDEN33 | Molecular distance edge between all tertiary nitrogens | 0,4425 | 0,2566
BEHm1 | Highest eigenvalue n. 1 of Burden matrix / weighted by atomic masses | 0,0300 | 0,0296
ARR | Aromatic ratio | -0,3353 | 0,2102
MATS3v | Moran autocorrelation - lag 3 / weighted by atomic van der Waals volumes | -0,2669 | 0,1766
GATS2p | Geary autocorrelation - lag 2 / weighted by atomic polarizabilities | -0,3290 | 0,2014
GATS5p | Geary autocorrelation - lag 5 / weighted by atomic polarizabilities | -0,1879 | 0,0981
-S- [aliphatic attach] | -S- [aliphatic attach] fragment count | -0,8749 | 0,1549

* value for 90% confidence interval

Model equation:
Developmental Toxicity = 14,8609×(xvch9) - 0,1686×(SsaaN) - 0,0365×(SHsOH) + 0,2196×(Hmax) + 0,0101×(ib) + 0,6064×(MDEN11) + 0,4425×(MDEN33) + 0,0300×(BEHm1) - 0,3353×(ARR) - 0,2669×(MATS3v) - 0,3290×(GATS2p) - 0,1879×(GATS5p) - 0,8749×(-S- [aliphatic attach]) + 0,5360

Model 452 fit results by chemical Model 452 training set descriptors