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. 2019 Sep 19;24(18):3404. doi: 10.3390/molecules24183404

Table 3.

The Apelblat parameters (A, B and C), R2 and RMSD (%) for PPD in different neat solvents (S).

S A B C R 2 RMSD (%) Overall RMSD (%)
Water −203.37 8364.17 30.54 0.9994 0.91
Methanol −521.60 20,859.30 78.22 0.9997 0.74
Ethanol −160.38 4887.72 24.33 0.9992 0.57
EG −411.70 15,922.29 62.00 0.9998 0.76
IPA −494.39 20,155.48 74.06 0.9995 0.87 0.62
PG −382.75 15,208.33 57.39 0.9986 0.95
1-Butanol −131.04 3505.05 20.15 0.9993 0.62
2-Butanol −269.06 9860.43 40.65 0.9995 0.42
EA −320.51 12,771.75 48.18 0.9995 0.63
Transcutol −203.37 8364.17 30.54 0.9994 0.27
PEG-400 −49.63 1173.90 7.81 0.9980 0.56
DMSO −25.60 488.77 4.04 0.9992 0.16