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. 2019 Nov 28;24(23):4346. doi: 10.3390/molecules24234346

Table 1.

RAUC values of the accumulation curves for the query compounds obtained using the three modes of shape similarity screening.

Query Typed Pharmacophore Typed Atoms Untyped Atoms
1a 0.76 0.95 0.95
1b 0.65 0.90 0.87
1c 0.78 0.96 0.97