Compound prediction

Prediction with model Rat toxicity prediction with Ensemble of Classifier Chains

CC(C)C1CCC(C)CC1OC(=O)c1ccccc1N

Inchi: InChI=1S/C17H25NO2/c1-11(2)13-9-8-12(3)10-16(13)20-17(19)14-6-4-5-7-15(14)18/h4-7,11-13,16H,8-10,18H2,1-3H3
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 (99.6%)

endpointapplicability domainpredicted activity (with confidence)prediction correct
liver-weight-increasedinside (99.6%)active (medium confidence: 54.7%)71.2%
body-weight-decreasedinside (98.1%)active (medium confidence: 52%)74.2%
liverinside (99.6%)active (medium confidence: 46.7%)70.3%
kidney-weight-increasedinside (99.3%)active (medium confidence: 56.7%)65.1%
cnsinside (99.5%)active (low confidence: 4%)60.3%
rbcinside (99.6%)active (low confidence: 18.7%)55.4%
kidneyinside (99.5%)active (medium confidence: 45.6%)76.1%
clinchem-nephrotoxinside (99.7%)inactive (low confidence: 1.7%)61%
spleeninside (99.6%)inactive (low confidence: 1.3%)62.4%
wbcinside (99.7%)active (low confidence: 32.7%)58%
haematology-anaemiainside (99.7%)inactive (low confidence: 8.3%)57.1%
haematology-cellular-hemostasisinside (100%)active (low confidence: 19.7%)50.8%
female-reproductive-organinside (99.5%)active (low confidence: 7.1%)59.3%
adrenal-gland-weight-increasedinside (99.7%)active (low confidence: 14.7%)48%
braininside (97.7%)active (low confidence: 24%)66.2%
clinchem-hepatotoxinside (100%)active (low confidence: 16%)60.8%
thymus-weight-decreasedinside (99%)inactive (low confidence: 12%)46.9%
haematology-plasmatic-hemostasisinside (100%)active (medium confidence: 42.7%)67%
male-reproductive-organinside (99.2%)active (low confidence: 28.8%)35.1%
haematopoiesisinside (99.5%)active (low confidence: 2%)54.7%
intestineinside (100%)active (low confidence: 5.6%)56.3%
male-reproductive-organ-weight-increasedinside (98.9%)inactive (low confidence: 6.7%)55.3%
thyroid-glandinside (99.6%)active (high confidence: 68.7%)85.9%
male-reproductive-organ-sperminside (93.6%)active (low confidence: 21.3%)40.6%
male-reproductive-organ-weight-decreasedinside (98.8%)active (low confidence: 4%)62.6%
thymusinside (99.3%)inactive (low confidence: 5.3%)61.6%
bone-marrowinside (59.1%)inactive (low confidence: 6.7%)55.6%
male-accessory-glandinside (99.8%)inactive (low confidence: 10.7%)63.5%