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. Author manuscript; available in PMC: 2020 Jul 10.
Published in final edited form as: J Chem Inf Model. 2020 Feb 3;60(3):1235–1244. doi: 10.1021/acs.jcim.9b01184

Table 7.

Summary of the Improvement by BTAMDL Models upon MDL and GBDT for Four Toxicity Datasetsa

LD50 (7413) IGC50 (1792) LC50 (823) LC50-DM (353)
model MDL GBDT MDL GBDT MDL GBDT MDL GBDT
BTAMDL 1 −3.5% 1.9% 2.3% 0.4% 12.1% 0.5% 55.3% 1.7%
BTAMDL 2 −3.6% 1.8% 2.1% 0.1% 12.4% 0.8% 57.0% 2.8%
a

The number in the bracket is the total size of the dataset.