10967/106 - QDB Compounds

QsarDB Repository

Aruoja, V.; Moosus, M.; Kahru, A.; Sihtmäe, M.; Maran, U. Measurement of baseline toxicity and QSAR analysis of 50 non-polar and 58 polar narcotic chemicals for the alga Pseudokirchneriella subcapitata. Chemosphere 2014, 96, 23-32

Compound

ID:82
Name:p-xylene
Description:
Labels:Training, Benzenes, Nonpolar_narcotics
CAS:106-42-3
InChi Code:InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3

Properties

pEC50: 72-h Algal toxicity as log(1/EC50) [log(L/mmol)]

ValueSource or prediction
0.62

experimental value

0.962

Tab4a: Baseline model (Training)

1.01

Tab4b: Main model (Training)

1.188

Tab4c: Response surface model (Training)

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