10967/66 - QDB Compounds

QsarDB Repository

Schultz, T.W.; Netzeva, T.I.; Cronin, M.T.D. Selection of data sets for qsars: analyses of tetrahymena toxicity from aromatic compounds. SAR QSAR Environ. Res. 2003, 14, 1, 59–81.

Compound

ID:18
Name:3-Cyanoaniline
Description:
Labels:
CAS:2237-30-1
InChi Code:

Properties

pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

ValueSource or prediction
-0.47

experimental value

-0.37

2: All compounds (Training)

-0.30

3: Training compounds (n = 10) (Training)

-0.30

4: Training compounds (n = 15) (Training)

-0.31

5: Training compounds (n = 20) (Training)

-0.31

6: Training compounds (n = 25) (Training)

-0.28

7: Training compounds (n = 30) (Training)

-0.30

8: Training compounds (n = 35) (Training)

-0.33

9: Training compounds (n = 40) (Training)

-0.30

10: Training compounds (n = 45) (Training)

-0.31

11: Training compounds (n = 50) (Training)

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