Compound prediction

Prediction with model Carcinogenicity prediction with Ensemble of Classifier Chains

C1(C)(C)C2=C(CC(C)C(C)(C(C)=O)C2)CCC1

Inchi: InChI=1S/C16H26O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h11H,6-10H2,1-5H3
2D-depiction3D-depiction
spin ON OFF
Compound is not included in the training dataset
Checking if compound is within applicability domain of the complete dataset: inside (99.5%)

endpointapplicability domainpredicted activity (with confidence)prediction correct
activityoutcome-cpdbas-singlecellcallinside (99.5%)inactive (low confidence: 32.2%)58%
activityoutcome-cpdbas-ratinside (99.5%)inactive (low confidence: 16.8%)57.2%
activityoutcome-cpdbas-multicellcallinside (99.5%)inactive (low confidence: 27.2%)58.3%
activityoutcome-cpdbas-mouseinside (99.4%)inactive (medium confidence: 46.5%)74.9%
activityoutcome-cpdbas-mutagenicityinside (98.9%)inactive (medium confidence: 66.2%)83.2%
activityoutcome-cpdbas-hamsterinside (74.7%)inactive (medium confidence: 50%)81.4%
activityoutcome-cpdbas-dog-primatesinside (52.2%)inactive (low confidence: 10%)51.2%