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EC number: 936-125-0
CAS number: 1352707-52-8
Global AD Index
AD index = 1
Explanation: the predicted compound is into the Applicability Domain of
Similar molecules with known experimental value
Similarity index = 0.874
Explanation: only moderately similar compounds with known experimental
value in the training set have been found.
Accuracy of prediction for similar molecules
Accuracy index = 0.074
Explanation: accuracy of prediction for similar molecules found in the
training set is good.
Concordance for similar molecules
Concordance index = 0.32
Explanation: similar molecules found in the training set have
experimental values that agree with the predicted value.
Maximum error of prediction among similar molecules
Max error index = 0.142
Explanation: the maximum error in prediction of similar molecules found
in the training set has a low value,
considering the experimental variability.
Predicted LogPow for
(1R,2R,3S,4S)-1-(1,3-dithian-2-yl)pentane-1,2,3,4-tetrol is -0.79.
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