Piir, G.; Sild, S.; Maran, U. Classifying bio-concentration factor with random forest algorithm, influence of the bio-accumulative vs. non-bio-accumulative compound ratio to modelling result, and applicability domain for random forest model. SAR QSAR Environ. Res. 2014, 25, 967-981.
Compound
| ID: | 960 | |
|---|---|---|
| Name: | 3-hydroxynaphthalene-2,7-disulfonic acid | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 148-75-4 | |
| InChi Code: | InChI=1S/C10H8O7S2/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17) |
Properties
BCF_class: Experimental BCF class (nB - non-bio-accumulative, B - bioaccumulative)
| Value | Source or prediction |
|---|---|
| nB |
experimental value |
| nB |
Tab1.Model1: Imbalanced model towards nB-compounds (Validation set) |
| nB |
Tab1.Model2: Balanced model (Validation set) |
| nB |
Tab1.Model3: Imbalanced model towards B-compounds (Validation set) |
logBCF: Experimental logarithmic BCF
| Value | Source or prediction |
|---|---|
| 0.3 |
experimental value |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6045032 | US EPA CompTox Dashboard |