ID: | 213 | |
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Name: | hydroxyacetone | |
Description: | ||
Labels: | ||
CAS: | 116-09-6 | |
InChi Code: | InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3 |
pk(OH): Degradation by OH radicals as -logk(OH) [log(s/cm3)] i
Value | Source or prediction |
---|---|
11.52 |
experimental value |
11.3 |
Eq.(i): Full model, descriptors from DRAGON (Training set) |
11.302 |
Tab1.D1: Model with descripors from DRAGON, split by K-ANN (Training set) |
11.323 |
Tab1.D2: Model with descripors from DRAGON, split by Random selection by response (Training set) |
11.338 |
Tab1.D3: Model with descripors from DRAGON, split by K-means clustering (Training set) |
11.2 |
Eq.(ii): Full model, descriptors from QSPR-THESAURUS (Training set) |
11.155 |
Tab1.O1: Model with descriptors from QSPR-THESAURUS, split by K-ANN (Training set) |
11.195 |
Tab1.O2: Model with descriptors from QSPR-THESAURUS, split by Random selection by response (Training set) |
11.22 |
Tab1.O3: Model with descriptors from QSPR-THESAURUS, split by K-means clustering (Training set) |
Link | Resource description |
---|---|
DTXSID8051590 | US EPA CompTox Dashboard |