Compound prediction

Prediction with model Rat toxicity prediction with Ensemble of Classifier Chains

CC(C)C1CCC(C)CC1O

Inchi: InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3
2D-depiction3D-depiction
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Compound is included 1 times in the training dataset (#801)
Checking if compound is within applicability domain of the complete dataset: inside (100%)

endpointmeasured activity (#801)applicability domainpredicted activity (with confidence)prediction correct
liver-weight-increasedactive (1.28mmol)inside (100%)active (medium confidence: 47.2%)71.2%
body-weight-decreasedinside (99.7%)active (low confidence: 16.6%)55.8%
liveractive (1.28mmol)inside (100%)active (high confidence: 67.3%)78.9%
kidney-weight-increasedinside (100%)inactive (low confidence: 8.7%)57.4%
cnsinside (100%)inactive (low confidence: 21.3%)57.7%
rbcinside (100%)inactive (low confidence: 29.6%)54.5%
kidneyinside (100%)inactive (low confidence: 6.2%)53.3%
clinchem-nephrotoxinside (100%)inactive (low confidence: 24.7%)61%
spleeninside (100%)inactive (medium confidence: 35.9%)82.8%
wbcinside (100%)active (low confidence: 8.2%)58%
haematology-anaemiainside (100%)inactive (medium confidence: 51.1%)79.2%
haematology-cellular-hemostasisinside (100%)inactive (medium confidence: 45.3%)64.9%
female-reproductive-organinside (100%)inactive (medium confidence: 58.7%)72.3%
adrenal-gland-weight-increasedinside (100%)inactive (low confidence: 18.7%)49.2%
braininside (99.6%)active (low confidence: 3.1%)66.2%
clinchem-hepatotoxinside (100%)active (low confidence: 8%)60.8%
thymus-weight-decreasedinside (99.6%)inactive (low confidence: 24%)46.9%
haematology-plasmatic-hemostasisinside (100%)inactive (low confidence: 24.2%)48.7%
male-reproductive-organinside (99.7%)inactive (low confidence: 25.5%)46.6%
haematopoiesisinside (99.4%)active (medium confidence: 36.1%)77.9%
intestineinside (100%)inactive (low confidence: 26.7%)47.3%
male-reproductive-organ-weight-increasedinside (100%)inactive (low confidence: 32.6%)55.3%
thyroid-glandinside (100%)active (medium confidence: 37.7%)69.6%
male-reproductive-organ-sperminside (99.7%)inactive (medium confidence: 54.9%)73.4%
male-reproductive-organ-weight-decreasedinside (100%)inactive (medium confidence: 50.4%)80.2%
thymusinside (100%)inactive (low confidence: 30.7%)61.6%
bone-marrowinside (96.6%)inactive (low confidence: 27.5%)55.6%
male-accessory-glandinside (100%)inactive (medium confidence: 52%)71.5%