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. Author manuscript; available in PMC: 2022 Dec 13.
Published in final edited form as: J Mol Graph Model. 2021 Dec 21;111:108103. doi: 10.1016/j.jmgm.2021.108103

Table 5.

Summary of the average evaluation metrics for the shape + electrostatics dataset. The composite classes are excluded from the average; they are presented in Tables D11 to D14.

Method Nearest Neighbor First Tier Second Tier Mean Reciprocal Rank

3DZD 0.5 0.160 0.321 0.454