Compound prediction

Prediction with model Rat toxicity prediction with Predictive Clustering Trees

C1CC2=C(CC1(C)C(=O)C)C(CCC2)(C)C

Inchi: InChI=1S/C15H24O/c1-11(16)15(4)9-7-12-6-5-8-14(2,3)13(12)10-15/h5-10H2,1-4H3
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 (99.7%)

The compound was assigned to a category of 12 compounds.

endpointapplicability domainpredicted activity (with confidence)prediction correct
adrenal-gland-weight-increasedinside (100%)active (low confidence: 16.7%)60.1%
body-weight-decreasedinside (99%)active (high confidence: 100%)64.4%
bone-marrowinside (96.7%)inactive (high confidence: 100%)65.5%
braininside (98.7%)inactive (high confidence: 66.7%)75.1%
clinchem-hepatotoxinside (99.6%)inactive (high confidence: 83.3%)52.5%
clinchem-nephrotoxinside (99.6%)inactive (high confidence: 83.3%)60.6%
cnsinside (99.6%)active (high confidence: 66.7%)63.2%
female-reproductive-organinside (99%)active (high confidence: 66.7%)57.4%
haematology-anaemiainside (99.4%)active (high confidence: 83.3%)63.9%
haematology-cellular-hemostasisinside (99.7%)inactive (high confidence: 83.3%)66.2%
haematology-plasmatic-hemostasisinside (100%)active (low confidence: 16.7%)54.5%
haematopoiesisinside (87.5%)inactive (low confidence: 16.7%)34.3%
intestineinside (100%)active (high confidence: 100%)74.3%
kidneyinside (99.5%)active (high confidence: 100%)68.1%
kidney-weight-increasedinside (99.5%)active (high confidence: 100%)61.3%
liverinside (99.6%)active (low confidence: 16.7%)56.3%
liver-weight-increasedinside (99.7%)active (high confidence: 66.7%)68%
male-accessory-glandinside (99.4%)inactive (high confidence: 100%)65.5%
male-reproductive-organinside (97.7%)active (high confidence: 100%)48.7%
male-reproductive-organ-sperminside (94%)inactive (high confidence: 83.3%)65.3%
male-reproductive-organ-weight-decreasedinside (98.5%)inactive (high confidence: 100%)71.4%
male-reproductive-organ-weight-increasedinside (99.4%)inactive (high confidence: 83.3%)70.3%
rbcinside (99.5%)active (high confidence: 66.7%)60.3%
spleeninside (99.1%)active (low confidence: 33.3%)64.7%
thymusinside (99%)inactive (high confidence: 83.3%)68.6%
thymus-weight-decreasedinside (98.6%)active (high confidence: 83.3%)42.1%
thyroid-glandinside (99.2%)active (high confidence: 100%)73%
wbcinside (99.6%)active (high confidence: 100%)68.4%