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:73
Name:Cyclohexanone
Description:
Labels:Training, Akanes_cyclic_ketone, Nonpolar_narcotics
CAS:108-94-1
InChi Code:InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2

Properties

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

ValueSource or prediction
-1.08

experimental value

-1.089

Tab4a: Baseline model (Training)

-0.808

Tab4b: Main model (Training)

-0.664

Tab4c: Response surface model (Training)

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