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Journal of Cheminformatics
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Table 7 External performance of the continuous integrated model for predicting single point logLD50 (mmol/kg)
From:
SAR and QSAR modeling of a large collection of LD
50
rat acute oral toxicity data
R
2
MAE
RMSE
#AD
%AD
PF
0.632
0.397
0.549
2152
0.992
0.25
0.646
0.390
0.535
2085
0.961
0.50
0.675
0.373
0.512
1900
0.876
0.75
0.716
0.348
0.477
1474
0.680
1.00
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