Compound prediction

Prediction with model Rat toxicity prediction with Predictive Clustering Trees

C(C)(=O)C1(C)C(C)C=C2C(C(C)(C)CCC2)C1

Inchi: InChI=1S/C16H26O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h9,11,14H,6-8,10H2,1-5H3
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%)

The compound was assigned to a category of 12 compounds.

endpointapplicability domainpredicted activity (with confidence)prediction correct
adrenal-gland-weight-increasedinside (99.6%)active (low confidence: 16.7%)60.1%
body-weight-decreasedinside (98.6%)active (high confidence: 100%)64.4%
bone-marrowinside (96%)inactive (high confidence: 100%)65.5%
braininside (97.9%)inactive (high confidence: 66.7%)75.1%
clinchem-hepatotoxinside (99.5%)inactive (high confidence: 83.3%)52.5%
clinchem-nephrotoxinside (99.5%)inactive (high confidence: 83.3%)60.6%
cnsinside (99.4%)active (high confidence: 66.7%)63.2%
female-reproductive-organinside (98.5%)active (high confidence: 66.7%)57.4%
haematology-anaemiainside (99.1%)active (high confidence: 83.3%)63.9%
haematology-cellular-hemostasisinside (99.6%)inactive (high confidence: 83.3%)66.2%
haematology-plasmatic-hemostasisinside (100%)active (low confidence: 16.7%)54.5%
haematopoiesisinside (81.3%)inactive (low confidence: 16.7%)34.3%
intestineinside (100%)active (high confidence: 100%)74.3%
kidneyinside (99.3%)active (high confidence: 100%)68.1%
kidney-weight-increasedinside (99.3%)active (high confidence: 100%)61.3%
liverinside (99.5%)active (low confidence: 16.7%)56.3%
liver-weight-increasedinside (99.6%)active (high confidence: 66.7%)68%
male-accessory-glandinside (99.1%)inactive (high confidence: 100%)65.5%
male-reproductive-organinside (96.5%)active (high confidence: 100%)48.7%
male-reproductive-organ-sperminside (90.5%)inactive (high confidence: 83.3%)65.3%
male-reproductive-organ-weight-decreasedinside (98%)inactive (high confidence: 100%)71.4%
male-reproductive-organ-weight-increasedinside (99.2%)inactive (high confidence: 83.3%)70.3%
rbcinside (99.3%)active (high confidence: 66.7%)60.3%
spleeninside (98.6%)active (low confidence: 33.3%)64.7%
thymusinside (98.5%)inactive (high confidence: 83.3%)68.6%
thymus-weight-decreasedinside (97.7%)active (high confidence: 83.3%)42.1%
thyroid-glandinside (98.9%)active (high confidence: 100%)73%
wbcinside (99.4%)active (high confidence: 100%)68.4%