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Figure 3 | BMC Bioinformatics

Figure 3

From: Substituting random forest for multiple linear regression improves binding affinity prediction of scoring functions: Cyscore as a case study

Figure 3

RF::Cyscore feature importance estimated on internal OOB data of the 1105 complexes from PDBbind v2007 refined set. The four features are hydrophobic free energy (Hydrophobic), van der Waals interaction energy (Vdw), hydrogen bond interaction energy (HBond) and ligand’s conformational entropy (Ent). The %IncMSE value of a particular feature was computed as the percentage of increase in mean square error observed in OOB prediction when that features was randomly permuted.

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BMC Bioinformatics

ISSN: 1471-2105

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