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:75
Name:Diethylether
Description:
Labels:Training, Ethers, Nonpolar_narcotics
CAS:60-29-7
InChi Code:InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3

Properties

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

ValueSource or prediction
-1.49

experimental value

-1.019

Tab4a: Baseline model (Training)

-1.072

Tab4b: Main model (Training)

-1.078

Tab4c: Response surface model (Training)

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