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Table 9 Top 10 pharmacophore descriptions

From: Multiple target drug cocktail design for attacking the core network markers of four cancers using ligand-based and structure-based virtual screening methods

Hypothesis Total cost ΔCost RMS Correlation (r) Features
1 211.414 33.787 0.583549 0.924995 HBA, HBA, HY, RA
2 211.745 33.456 0.599912 0.920410 HBA, HBA, HY, RA
3 212.295 32.906 0.606595 0.918758 HBA, HBA, HY, RA
4 212.530 32.671 0.609627 0.917975 HBA, HBA, HY, RA
5 213.564 31.637 0.641692 0.908625 HBA, HBA, HY, RA
6 213.870 31.331 0.651935 0.905497 HBA, HBA, HY, RA
7 214.412 30.789 0.669021 0.900153 HBA, HBA, HY, RA
8 215.039 30.162 0.690558 0.893115 HBA, HBA, HY, RA
9 215.282 29.919 0.694361 0.891929 HBA, HBA, HY, RA
10 215.758 29.443 0.713440 0.885327 HBA, HBA, HY, RA
  1. * Null cost = 245.201; Fixed cost = 202.014; Configuration cost = 19.2545; ΔCost = Null cost - Total cost. All costs are in units of bits.
  2. * HBA, hydrogen bond acceptor; HY, hydrophobic; RA, ring aromatic.