ID: | 29 | |
---|---|---|
Name: | (-)-(R)-Carvone | |
Description: | ||
Labels: | ||
CAS: | ||
InChi Code: | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1 |
pEC3: Skin sensitisation potency in the local lymph node assay (LLNA) as log(1/EC3) [log(L/mol)]
Value | Source or prediction |
---|---|
1.07 |
experimental value |
1.31 |
Eq1: Initial correlation with all data (Training set) |
1.18 |
Eq2: Statistical outliers (ID: 1,19,20,21) eliminated (Training set) |
1.12 |
Eq3: Correlation improved with surface area descriptor (Training set) |
1.10 |
Eq4: Final correlation (eliminated ID: 28) (Training set) |
Link | Resource description |
---|---|
DTXSID7041413 | US EPA CompTox Dashboard |