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Table 4 Summed up ratios of bioactive molecules recovered with different RMSD values

From: Accuracy evaluation and addition of improved dihedral parameters for the MMFF94s

RMSD N-aryl amides (272 molecules) Phenylpyrroles (63 molecules)
MMFF94s MMFF94s new OPLS3 MMFF94s MMFF94s new OPLS3
< 0.5 Å 0.34 0.43 0.41 0.52 0.59 0.52
< 1.0 Å 0.85 0.89 0.89 0.87 0.90 0.83
< 1.5 Å 0.98 0.98 0.98 1.00 0.97 0.98
< 2.0 Å 0.99 0.98 0.99 1.00 0.98 1.00