Compound prediction

Prediction with model Carcinogenicity prediction with Ensemble of Classifier Chains

O=[N+]([O-])c1cc(N)ccc1(NCCO)

Inchi: InChI=1S/C8H11N3O3/c9-6-1-2-7(10-3-4-12)8(5-6)11(13)14/h1-2,5,10,12H,3-4,9H2
2D-depiction3D-depiction
spin ON OFF
Compound is included 1 times in the training dataset (#1263)
Checking if compound is within applicability domain of the complete dataset: inside (96.5%)

endpointmeasured activity (#1263)applicability domainpredicted activity (with confidence)prediction correct
activityoutcome-cpdbas-singlecellcallinactiveinside (96.4%)inactive (low confidence: 32%)58%
activityoutcome-cpdbas-ratinactiveinside (97.3%)inactive (low confidence: 32%)57.2%
activityoutcome-cpdbas-multicellcallinactiveinside (96.2%)inactive (medium confidence: 40.7%)77.2%
activityoutcome-cpdbas-mouseinactiveinside (92.4%)inactive (medium confidence: 55.5%)74.9%
activityoutcome-cpdbas-mutagenicityactiveinside (94.5%)active (high confidence: 78%)94.8%
activityoutcome-cpdbas-hamsterinside (95.8%)inactive (low confidence: 19.7%)55%
activityoutcome-cpdbas-dog-primatesinside (96.5%)active (low confidence: 10%)48.2%