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Fig. 5 | Journal of Cheminformatics

Fig. 5

From: Learnt representations of proteins can be used for accurate prediction of small molecule binding sites on experimentally determined and predicted protein structures

Fig. 5

Combining predictions of multiple models on multiple structures: IF-SitePred. Using multiple predictive models on multiple protein structures improves IF-SitePred’s predictive power. We compare F1 scores of predictions of binding residues for PDB and MD structures of 21 proteins when using single or multiple predictive models on single or multiple structures (MD only). Combining predictions of multiple models on multiple structures yielded the most accurate prediction of binding residues on MD structures, with F1 scores approaching those of predictions on PDB structures

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Journal of Cheminformatics

ISSN: 1758-2946

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