Compound prediction

Prediction with model Carcinogenicity prediction with Ensemble of Classifier Chains

C1=CC(=CC=C1NN=C2C(=CC3=C(C2=O)C=CC(=C3)N)S(=O)(=O)[OH])N=NC4=CC=C(C=C4)S(=O)(=O)[OH]

Inchi: InChI=1S/C22H17N5O7S2/c23-14-1-10-19-13(11-14)12-20(36(32,33)34)21(22(19)28)27-26-16-4-2-15(3-5-16)24-25-17-6-8-18(9-7-17)35(29,30)31/h1-12,26H,23H2,(H,29,30,31)(H,32,33,34)
2D-depiction3D-depiction
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Compound is not included in the training dataset
Checking if compound is within applicability domain of the complete dataset: inside (82.8%)

endpointapplicability domainpredicted activity (with confidence)prediction correct
activityoutcome-cpdbas-singlecellcallinside (82.8%)inactive (low confidence: 8.3%)58%
activityoutcome-cpdbas-ratinside (84.5%)active (low confidence: 8.1%)55.3%
activityoutcome-cpdbas-multicellcallinside (81.1%)inactive (medium confidence: 45.8%)77.2%
activityoutcome-cpdbas-mouseinside (70.9%)inactive (medium confidence: 55.7%)74.9%
activityoutcome-cpdbas-mutagenicityinside (73.8%)inactive (low confidence: 9.6%)62%
activityoutcome-cpdbas-hamsterinside (0.4%)inactive (high confidence: 72.3%)92.6%
activityoutcome-cpdbas-dog-primatesinside (0.5%)inactive (medium confidence: 58%)53.1%