### FDA Model

Prediction statistics
Endpoint | Concordance | Sensitivity | Specificity | #chemicals
--- | --- | --- | --- | ---
Developmental Toxicity | 0,967 (29 out of 30) | 1,000 (22 out of 22) | 0,875 (7 out of 8) | 30

Model coefficients
Coefficient | Definition | Value | Uncertainty*
--- | --- | --- | ---
Intercept | Model intercept | 1,5125 | 0,3883
SHother | Sum of (CH or CH2 with -F or -Cl attached) hydrogen E-State values (SHCHnX) | -0,0384 | 0,0230
Gmin | Minimum E-State value in molecule. | -0,0935 | 0,0900
MDEC14 | Molecular distance edge between all primary and quaternary carbons | -0,2541 | 0,1325
-CH3 [aromatic attach] | -CH3 [aromatic attach] fragment count | -0,4214 | 0,2069
-O- [aromatic attach] | -O- [aromatic attach] fragment count | -0,2340 | 0,1106
-NH- [aliphatic attach] | -NH- [aliphatic attach] fragment count | -0,5702 | 0,1828

* value for 90% confidence interval

Model equation:
Developmental Toxicity = -0,0384×(SHother) - 0,0935×(Gmin) - 0,2541×(MDEC14) - 0,4214×(-CH3 [aromatic attach]) - 0,2340×(-O- [aromatic attach]) - 0,5702×(-NH- [aliphatic attach]) + 1,5125

FDA model fit results by chemical FDA model training set descriptors