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. 2018 Apr 3;10:17. doi: 10.1186/s13321-018-0271-1

Table 1.

Predictive ability of models, expressed as squared correlation coefficient (Q2) between acd_logd values in ChEMBL database and predicted logD values for 100,000 test set compounds

Epsilon Cost
0.001 0.01 0.1 1 10
10-1 0.509 0.509 0.510
10-2 0.820 0.821 0.821 0.821
10-3 0.918 0.943 0.949 0.952 0.952
10-4 0.923 0.958 0.970 0.973 0.973
10-5 0.958 0.971 0.973 0.972

Bolditalic values indicate models with the highest predictive ability