Gramatica, P.; Chirico, N.; Papa, E.; Cassani, S.; Kovarich, S. QSARINS: A new software for the development, analysis, and validation of QSAR MLR models. Journal of Computational Chemistry 2013, 34, 2121–2132.
Compound
| ID: | 139 | |
|---|---|---|
| Name: | dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate | |
| Description: | Original non-IUPAC name was: thioperoxydicarbonic diamide, tetramethyl- | |
| Labels: | Validation | |
| CAS: | 137-26-8 | |
| InChi Code: | InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -0.65 |
experimental value |
| -1.104 |
Eq1: Full model (Training set) |
| -1.107 |
Eq2: Split model (Validation set) |