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. Author manuscript; available in PMC: 2021 Apr 29.
Published in final edited form as: Phys Chem Chem Phys. 2020 Apr 29;22(16):8373–8390. doi: 10.1039/d0cp00305k

Table 9:

Comparison of prediction results on the Log S data set.

Method R RMSE
Cons-top 3 0.955 0.648
Cons-top 6 0.944 0.684
MT-ESTD+-1 (3D)5 0.94 0.69
Drug-LOGS (2D)56 0.94 0.64
Klopman MLR (2D)57 0.92 0.86