Compound prediction

Prediction with model Rat toxicity 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 (99.6%)

endpointapplicability domainpredicted activity (with confidence)prediction correct
liver-weight-increasedinside (99.7%)active (low confidence: 33.3%)58.1%
body-weight-decreasedinside (99%)active (medium confidence: 50.7%)74.2%
liverinside (99.6%)active (high confidence: 68%)78.9%
kidney-weight-increasedinside (99.5%)active (medium confidence: 50%)65.1%
cnsinside (99.6%)inactive (medium confidence: 37.7%)75.5%
rbcinside (99.6%)active (low confidence: 29.3%)55.4%
kidneyinside (99.5%)active (medium confidence: 38.3%)76.1%
clinchem-nephrotoxinside (99.5%)active (low confidence: 29%)54%
spleeninside (99.3%)inactive (low confidence: 12%)62.4%
wbcinside (99.6%)active (low confidence: 30%)58%
haematology-anaemiainside (99.5%)inactive (low confidence: 14.7%)57.1%
haematology-cellular-hemostasisinside (99.7%)active (low confidence: 13.3%)50.8%
female-reproductive-organinside (96.9%)active (low confidence: 10.9%)59.3%
adrenal-gland-weight-increasedinside (99.7%)active (low confidence: 11.6%)48%
braininside (98.6%)active (low confidence: 13.3%)66.2%
clinchem-hepatotoxinside (100%)inactive (low confidence: 17.3%)60.8%
thymus-weight-decreasedinside (96.6%)active (low confidence: 8%)38.3%
haematology-plasmatic-hemostasisinside (100%)active (medium confidence: 50.4%)67%
male-reproductive-organinside (92%)active (medium confidence: 36.7%)65.6%
haematopoiesisinside (98.6%)active (low confidence: 23.3%)54.7%
intestineinside (100%)inactive (low confidence: 10.7%)47.3%
male-reproductive-organ-weight-increasedinside (99.3%)active (low confidence: 7.4%)57.6%
thyroid-glandinside (99.6%)active (medium confidence: 40.4%)69.6%
male-reproductive-organ-sperminside (45%)active (low confidence: 1.1%)40.6%
male-reproductive-organ-weight-decreasedinside (96.7%)inactive (low confidence: 8%)57.4%
thymusinside (99.2%)inactive (low confidence: 17.3%)61.6%
bone-marrowinside (1%)inactive (low confidence: 13.3%)55.6%
male-accessory-glandinside (90.5%)inactive (low confidence: 13.3%)63.5%