10967/115 - QDB Compounds

QsarDB Repository

Piir, G.; Sild, S.; Roncaglioni, A.; Benfenati, E.; Maran, U. QSAR model for the prediction of bio-concentration factor using aqueous solubility and descriptors considering various electronic effects. SAR QSAR Environ. Res. 2010, 21, 7-8, 711-729.

Compound

ID:t37
Name:fluoranthene
Description:
Labels:Training
CAS:206-44-0
InChi Code:InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
2.71

experimental value

3.0983

Tab2: Multilinear model for diverse chemicals (Training set)

3.0983

Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set)

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