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:266
Name:1,3,5-Trimethyl-2-nitrobenzene
Description:
Labels:
CAS:603-71-4
InChi Code:

Properties

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

ValueSource or prediction
0.86

experimental value

0.92

2: All compounds (Training)

1.06

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

1.02

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

1.05

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

1.04

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

0.99

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

1.00

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

0.99

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

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