Aptula, A.O.; Jeliazkova, N.G.; Schultz, T.W.; Cronin, M.T.D. The Better Predictive Model: High q2 for the Training Set or Low Root Mean Square Error of Prediction for the Test Set?. QSAR Comb. Sci. 2005, 24, 3, 385–396.
Compound
| ID: | 176 | |
|---|---|---|
| Name: | 3-hydroxy-4-nitrobenzaldehyde | |
| Description: | ||
| Labels: | training | |
| CAS: | 704-13-2 | |
| InChi Code: |
Properties
MOA: Mode of action
| Value | Source or prediction |
|---|---|
| Soft electrophile |
experimental value |
pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| 0.27 |
experimental value |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID40220669 | US EPA CompTox Dashboard |