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. 2022 Nov 7;62(22):5383–5396. doi: 10.1021/acs.jcim.2c00832

Table 3. Test Results of the Classification Task (TOUGH-C1) Using Different Combinations of Feature Maps (Shape and Physicochemical).

input features mean ACC (combined) mean AUC (heme) mean AUC (nucleotide)
charges 0.74 0.89 0.87
hydrophobicity 0.72 0.93 0.88
pseudocenters 0.78 0.94 0.89
shapes, charges 0.78 0.96 0.90
shapes, hydrophobicity 0.75 0.95 0.89
shapes, pseudocenters 0.79 0.94 0.89
shapes, charges, hydrophobicity, pseudocenters 0.81 0.97 0.93