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Table 2 Comparison of CLAPE-SMB with other models trained on CHEN11 and tested on COACH420

From: Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning

Model

Rec

Pre

MCC

AUROC

P2Rank

0.888

0.079

0.224

N/A

GraphBind

0.477

0.223

0.303

0.889

CLAPE-SMB

0.395 ± 0.066

0.412 ± 0.057

0.371 ± 0.009

0.876 ± 0.002

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Journal of Cheminformatics

ISSN: 1758-2946

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