SUMMARY OUTPUT Regression Statistics Multiple 0.994967 R Square 0.98996 Adjusted 0.92972 Standard 0.980203 Observati 8 ANOVA df SS MS F Significance F Regressio 6 94.7365 15.78942 16.43364 0.186621 Residual 1 0.960799 0.960799 Total 7 95.6973 Coefficients tandard Erro t Stat P-value Lower 95% Upper 95%Lower 95.0% Intercept -4174.41 1208.406 -3.45447 0.179385 -19528.7 11179.85 -19528.7 ∂d 542.1607 155.6723 3.482704 0.178006 -1435.84 2520.165 -1435.84 ∂p 5.249143 1.446642 3.628501 0.1712 -13.1322 23.63048 -13.1322 ∂h -3.23921 1.042827 -3.10619 0.198282 -16.4896 10.01116 -16.4896 dd2 -17.6322 5.004359 -3.52337 0.176055 -81.2186 45.95423 -81.2186 dp2 -0.46277 0.104537 -4.42684 0.141435 -1.79105 0.865504 -1.79105 dh2 0.146814 0.041775 3.514364 0.176484 -0.38399 0.677619 -0.38399
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SUMMARY OUTPUT
Regression StatisticsMultiple R 0.9949673R Square 0.98996Adjusted R 0.9297202Standard Er0.9802034Observatio 8
ANOVAdf SS MS F Significance F
Regression 6 94.736503 15.789417 16.433637 0.1866207Residual 1 0.9607987 0.9607987Total 7 95.697302
CoefficientsStandard Error t Stat P-value Lower 95%Upper 95%Lower 95.0%Upper 95.0%Intercept -4174.407 1208.4063 -3.454473 0.1793851 -19528.67 11179.851 -19528.67 11179.851∂d 542.16066 155.67234 3.4827039 0.1780059 -1435.844 2520.1653 -1435.844 2520.1653∂p 5.249143 1.4466422 3.6285012 0.1711999 -13.13219 23.630475 -13.13219 23.630475∂h -3.239215 1.0428274 -3.106185 0.1982817 -16.48959 10.011164 -16.48959 10.011164dd2 -17.63219 5.0043595 -3.523366 0.1760553 -81.2186 45.954228 -81.2186 45.954228dp2 -0.462771 0.1045375 -4.426844 0.1414351 -1.791046 0.8655036 -1.791046 0.8655036dh2 0.1468135 0.0417753 3.5143641 0.1764835 -0.383992 0.6776188 -0.383992 0.6776188
D0 -4174.407D1 -17.63219D2 542.16066D3 -0.462771D4 5.249143
1 to 8 D5 0.1468135D6 -3.239215Solubility Parameters for the Drug Levostatin∂D 15.374174∂P 5.6714231∂H 11.03173
Upper 95.0% ∂T 19.754223
SUMMARY OUTPUT
Regression StatisticsMultiple R 1R Square 1Adjusted R 65535Standard Er 0Observatio 7 1to7
ANOVAdf SS MS F Significance F
Regression 6 95.186404 15.864401 #NUM! #NUM!Residual 0 0 65535Total 6 95.186404
CoefficientsStandard Error t Stat P-value Lower 95%Upper 95%Lower 95.0%Upper 95.0%Intercept -8222.092 0 65535 #NUM! -8222.092 -8222.092 -8222.092 -8222.092∂d 1067.7764 0 65535 #NUM! 1067.7764 1067.7764 1067.7764 1067.7764∂p 6.4782682 0 65535 #NUM! 6.4782682 6.4782682 6.4782682 6.4782682∂h -7.175132 0 65535 #NUM! -7.175132 -7.175132 -7.175132 -7.175132dd2 -34.62104 0 65535 #NUM! -34.62104 -34.62104 -34.62104 -34.62104dp2 -0.560094 0 65535 #NUM! -0.560094 -0.560094 -0.560094 -0.560094dh2 0.2982934 0 65535 #NUM! 0.2982934 0.2982934 0.2982934 0.2982934
D0 -8222.092D1 -34.62104D2 1067.7764D3 -0.560094D4 6.4782682D5 0.2982934D6 -7.175132
Solubility Parameters for the Drug Levostatin∂D 15.420919∂P 5.7832008∂H 12.026972
Upper 95.0%∂T 20.393583
SUMMARY OUTPUT
Regression StatisticsMultiple R 0.998204R Square 0.9964113Adjusted R 0.9748789Standard Er0.1948743 1to8Observatio 8
ANOVAdf SS MS F Significance F
Regression 6 10.544041 1.7573401 46.275048 0.1120553Residual 1 0.037976 0.037976Total 7 10.582017
CoefficientsStandard Error t Stat P-value Lower 95%Upper 95%Lower 95.0%Upper 95.0%Intercept 549.52859 603.10491 0.9111658 0.5295699 -7113.646 8212.703 -7113.646 8212.703∂d -68.92474 78.027682 -0.883337 0.539385 -1060.36 922.51096 -1060.36 922.51096∂p -1.34936 1.282523 -1.052114 0.4838364 -17.64536 14.94664 -17.64536 14.94664∂h 1.0129813 0.5125539 1.9763411 0.2982083 -5.499633 7.5255959 -5.499633 7.5255959dd2 2.138189 2.5253182 0.8467008 0.5527265 -29.94902 34.225399 -29.94902 34.225399dp2 0.1623597 0.1185924 1.3690566 0.4016168 -1.3445 1.6692191 -1.3445 1.6692191dh2 -0.037782 0.0231015 -1.635497 0.3493674 -0.331315 0.25575 -0.331315 0.25575
D0 549.52859D1 2.138189D2 -68.92474D3 0.1623597D4 -1.34936D5 -0.037782D6 1.0129813
Solubility Parameters for the drug Simvastatin∂D 16.117551∂P 4.1554646
Upper 95.0% ∂H 13.405446
∂T 21.371694
SUMMARY OUTPUT
Regression StatisticsMultiple R 1R Square 1Adjusted R 65535Standard Er 0 1to7Observatio 7
ANOVAdf SS MS F Significance F
Regression 6 10.513485 1.7522475 #NUM! #NUM!Residual 0 0 65535Total 6 10.513485
CoefficientsStandard Error t Stat P-value Lower 95%Upper 95%Lower 95.0%Upper 95.0%Intercept -3797.121 0 65535 #NUM! -3797.121 -3797.121 -3797.121 -3797.121∂d 493.27474 0 65535 #NUM! 493.27474 493.27474 493.27474 493.27474∂p 2.100079 0 65535 #NUM! 2.100079 2.100079 2.100079 2.100079∂h 0.655745 0 65535 #NUM! 0.655745 0.655745 0.655745 0.655745dd2 -16.05935 0 65535 #NUM! -16.05935 -16.05935 -16.05935 -16.05935dp2 -0.21554 0 65535 #NUM! -0.21554 -0.21554 -0.21554 -0.21554dh2 -0.004263 0 65535 #NUM! -0.004263 -0.004263 -0.004263 -0.004263
D0 -3797.121D1 -16.05935D2 493.27474D3 -0.21554D4 2.100079D5 -0.004263D6 0.655745
Solubility Parameters for the drug Simvastatin∂D 15.357869∂P 4.8716762∂H 76.903784
Upper 95.0%∂T 78.573465
SUMMARY OUTPUT
Regression StatisticsMultiple R 1R Square 1Adjusted R 65535Standard Er 0Observatio 7
ANOVAdf SS MS F Significance F
Regression 6 2060.4638 343.41063 #NUM! #NUM! 1to 7Residual 0 0 65535Total 6 2060.4638
CoefficientsStandard Error t Stat P-value Lower 95%Upper 95%Lower 95.0%Upper 95.0%Intercept -18785.83 0 65535 #NUM! -18785.83 -18785.83 -18785.83 -18785.83dd2 -69.84908 0 65535 #NUM! -69.84908 -69.84908 -69.84908 -69.84908∂d 2305.4612 0 65535 #NUM! 2305.4612 2305.4612 2305.4612 2305.4612dp2 4.4890337 0 65535 #NUM! 4.4890337 4.4890337 4.4890337 4.4890337∂p -62.1772 0 65535 #NUM! -62.1772 -62.1772 -62.1772 -62.1772dh2 -0.006597 0 65535 #NUM! -0.006597 -0.006597 -0.006597 -0.006597∂h 0.9517767 0 65535 #NUM! 0.9517767 0.9517767 0.9517767 0.9517767
D0 D1 D2 D3 D4 D5 D6-18785.83 -69.84908 2305.4612 4.4890337 -62.1772 -0.006597 0.9517767
Upper 95.0% delta d2 delta p2 delta h2 delta t16.50316 6.9254545 72.140277 74.327221
SUMMARY OUTPUT
Regression StatisticsMultiple R 0.9888807R Square 0.977885Adjusted R 0.8451951Standard Er8.3627195Observatio 8
ANOVAdf SS MS F Significance F
Regression 6 3092.4029 515.40048 7.3696991 0.2747497Residual 1 69.935078 69.935078Total 7 3162.338
CoefficientsStandard Error t Stat P-value Lower 95%Upper 95%Lower 95.0%Upper 95.0%Intercept -1581.634 2516.8724 -0.628413 0.6428248 -33561.53 30398.261 -33561.53 30398.261dd2 -6.698425 9.1603039 -0.731245 0.598045 -123.0911 109.69427 -123.0911 109.69427∂d 209.73213 305.03364 0.6875705 0.6165415 -3666.088 4085.552 -3666.088 4085.552dp2 1.4828326 1.0423031 1.4226501 0.3900434 -11.76088 14.726549 -11.76088 14.726549∂p -23.53906 14.911143 -1.578622 0.3594753 -213.0031 165.92497 -213.0031 165.92497dh2 -0.196825 0.3247922 -0.606004 0.6531554 -4.323702 3.9300511 -4.323702 3.9300511∂h 6.3133419 8.5751828 0.7362341 0.5959804 -102.6447 115.27137 -102.6447 115.27137
D0 D1 D2 D3 D4 D5 D6-1581.634 -6.698425 209.73213 1.4828326 -23.53906 -0.196825 6.3133419
Upper 95.0% delta d2 delta p2 delta h2 delta t15.655331 7.9371954 16.037937 23.77612
SUMMARY OUTPUT
Regression StatisticsMultiple R 0.9952072R Square 0.9904373Adjusted R 0.9617491Standard Er6.4095153Observatio 9
ANOVAdf SS MS F Significance F
Regression 6 8509.9328 1418.3221 34.52427 0.0284147Residual 2 82.163773 41.081886Total 8 8592.0966
CoefficientsStandard Error t Stat P-value Lower 95%Upper 95%Lower 95.0%Upper 95.0%Intercept -2350.958 1316.3673 -1.785944 0.2160271 -8014.83 3312.9135 -8014.83 3312.9135dd2 -9.522178 4.7439299 -2.007234 0.1825225 -29.93366 10.889304 -29.93366 10.889304∂d 303.36007 158.76998 1.910689 0.1962192 -379.772 986.49217 -379.772 986.49217dp2 1.7546873 0.6244189 2.8101123 0.1067402 -0.93197 4.441345 -0.93197 4.441345∂p -27.28779 9.1323463 -2.988037 0.096125 -66.58111 12.005522 -66.58111 12.005522dh2 -0.239841 0.2361177 -1.01577 0.4166275 -1.255774 0.7760911 -1.255774 0.7760911∂h 7.470785 6.2205518 1.2009843 0.352695 -19.29409 34.235659 -19.29409 34.235659
D0 D1 D2 D3 D4 D5 D6-2350.958 -9.522178 303.36007 1.7546873 -27.28779 -0.239841 7.470785
Upper 95.0% delta d2 delta p2 delta h2 delta t15.929132 7.7756854 15.574433 23.595794
SUMMARY OUTPUT
Regression StatisticsMultiple R 0.9943204R Square 0.988673Adjusted R Square 0.9207109Standard Error 0.1257599Observations 8
ANOVAdf SS MS F Significance F
Regression 6 1.380453 0.2300755 14.547415 0.1980516Residual 1 0.0158156 0.0158156Total 7 1.3962686
CoefficientsStandard Error t Stat P-value Lower 95%Upper 95%Lower 95.0%Intercept 524.29566 155.03832 3.3817166 0.1830373 -1445.653 2494.2443 -1445.653X Variable 1 2.2431035 0.6420585 3.4936127 0.1774785 -5.915023 10.40123 -5.915023X Variable 2 -68.95558 19.972734 -3.452486 0.179483 -322.7332 184.82207 -322.7332X Variable 3 0.0553823 0.0134121 4.1292648 0.1512605 -0.115035 0.2257997 -0.115035X Variable 4 -0.636929 0.1856039 -3.431658 0.180515 -2.995251 1.7213924 -2.995251X Variable 5 -0.018201 0.0053598 -3.39583 0.1823176 -0.086303 0.0499014 -0.086303X Variable 6 0.3995576 0.1337946 2.9863509 0.2057053 -1.300464 2.0995788 -1.300464
LOVASTATIN 1-8SET 1
δd 15.3705δp 5.75033δh 1.0968
δt 19.74361161Upper 95.0%2494.2443
10.40123184.822070.22579971.72139240.04990142.0995788
SUMMARY OUTPUT
Regression StatisticsMultiple R 1 LOVASTATION 1-7R Square 1Adjusted R 65535Standard Er 0Observatio 7
ANOVAdf SS MS F Significance F
Regression 6 1.3905681 0.2317613 #NUM! #NUM!Residual 0 0 65535Total 6 1.3905681
CoefficientsStandard Error t Stat P-value Lower 95%Upper 95%Lower 95.0%Upper 95.0%Intercept 1043.6129 0 65535 #NUM! 1043.6129 1043.6129 1043.6129 1043.6129X Variable 4.4227697 0 65535 #NUM! 4.4227697 4.4227697 4.4227697 4.4227697X Variable -136.392 0 65535 #NUM! -136.392 -136.392 -136.392 -136.392X Variable 0.0678687 0 65535 #NUM! 0.0678687 0.0678687 0.0678687 0.0678687X Variable -0.794626 0 65535 #NUM! -0.794626 -0.794626 -0.794626 -0.794626X Variable -0.037636 0 65535 #NUM! -0.037636 -0.037636 -0.037636 -0.037636X Variable 0.904535 0 65535 #NUM! 0.904535 0.904535 0.904535 0.904535
LOVASTATION 1-7SET 2
δd 15.41929δp 5.85414δh 12.015608
δt 20.405888
Upper 95.0%
SUMMARY OUTPUT
Regression StatisticsMultiple R 0.9988591R Square 0.9977195Adjusted R Square 0.9840364Standard Error 0.0197071Observations 8
ANOVAdf SS MS F Significance F
Regression 6 0.1699104 0.0283184 72.916203 0.0894041Residual 1 0.0003884 0.0003884Total 7 0.1702988
CoefficientsStandard Error t Stat P-value Lower 95%Upper 95%Lower 95.0%Intercept -77.05534 60.990297 -1.263403 0.4262452 -852.0105 697.89986 -852.0105X Variable 1 -0.286231 0.2553783 -1.120812 0.4637743 -3.53112 2.9586581 -3.53112X Variable 2 9.198915 7.8907192 1.1657892 0.4513622 -91.06218 109.46001 -91.06218X Variable 3 -0.019622 0.0119929 -1.636105 0.3492621 -0.172006 0.1327628 -0.172006X Variable 4 0.1577432 0.1296979 1.2162356 0.4380817 -1.490225 1.8057117 -1.490225X Variable 5 0.0047636 0.0023362 2.0390582 0.2902708 -0.02492 0.0344477 -0.02492X Variable 6 -0.127379 0.0518331 -2.457483 0.2460268 -0.785981 0.5312233 -0.785981
SIMVASTATIN 1-8SET 1
δd 16.0690965δp 4.019954δh 13.369017
δt 21.286299
Upper 95.0%697.899862.9586581109.460010.13276281.80571170.03444770.5312233
SUMMARY OUTPUT
Regression StatisticsMultiple R 1R Square 1 SIMVASTATIN 1-7Adjusted R 65535Standard Er 0Observatio 7
ANOVAdf SS MS F Significance F
Regression 6 0.1691235 0.0281873 #NUM! #NUM!Residual 0 0 65535Total 6 0.1691235
CoefficientsStandard Error t Stat P-value Lower 95%Upper 95%Lower 95.0%Upper 95.0%Intercept 362.50904 0 65535 #NUM! 362.50904 362.50904 362.50904 362.50904X Variable 1.5540346 0 65535 #NUM! 1.5540346 1.5540346 1.5540346 1.5540346X Variable -47.65473 0 65535 #NUM! -47.65473 -47.65473 -47.65473 -47.65473X Variable 0.0185942 0 65535 #NUM! 0.0185942 0.0185942 0.0185942 0.0185942X Variable -0.191089 0 65535 #NUM! -0.191089 -0.191089 -0.191089 -0.191089X Variable 0.0013739 0 65535 #NUM! 0.0013739 0.0013739 0.0013739 0.0013739X Variable -0.091253 0 65535 #NUM! -0.091253 -0.091253 -0.091253 -0.091253
SIMVASTATIN 1-7SET 2
δd 15.332569δp 5.138485533δh 33.20596798
δt 36.93359
Upper 95.0%
SUMMARY OUTPUT
Regression StatisticsMultiple R 0.9857654R Square 0.9717334Adjusted R 0.8869336 ARTEMISNIN 1-9Standard Er0.7752042Observatio 9
ANOVAdf SS MS F Significance F
Regression 6 41.317677 6.8862795 11.459149 0.0824254Residual 2 1.2018832 0.6009416Total 8 42.51956
CoefficientsStandard Error t Stat P-value Lower 95%Upper 95%Lower 95.0%Upper 95.0%Intercept -33.00958 159.20916 -0.207335 0.8549429 -718.0313 652.01213 -718.0313 652.01213X Variable -0.034385 0.5737586 -0.05993 0.957661 -2.503069 2.4342986 -2.503069 2.4342986X Variable 2.2764144 19.202569 0.1185474 0.9164673 -80.34557 84.898401 -80.34557 84.898401X Variable -0.075053 0.0755209 -0.993806 0.4250413 -0.399993 0.249887 -0.399993 0.249887X Variable 1.3236006 1.1045193 1.1983499 0.3535211 -3.428762 6.0759636 -3.428762 6.0759636X Variable 0.008669 0.0285575 0.3035621 0.7901296 -0.114204 0.1315418 -0.114204 0.1315418X Variable -0.326425 0.7523499 -0.433874 0.7066975 -3.563526 2.9106749 -3.563526 2.9106749
ARTEMISNIN 1-9SET 1
δd 33.09703δp 8.8181279δh 18.827431
δt 39.085098
Upper 95.0%
SUMMARY OUTPUT
Regression StatisticsMultiple R 0.9894329R Square 0.9789775 ARTEMESNIN 1-8Adjusted R 0.8528426Standard Er0.7511597Observatio 8
ANOVAdf SS MS F Significance F
Regression 6 26.275626 4.3792711 7.7613502 0.2680727Residual 1 0.5642409 0.5642409Total 7 26.839867
CoefficientsStandard Error t Stat P-value Lower 95%Upper 95%Lower 95.0%Upper 95.0%Intercept 142.66453 226.07156 0.6310591 0.6416183 -2729.847 3015.1761 -2729.847 3015.1761X Variable 0.6104149 0.8228006 0.7418746 0.593658 -9.844259 11.065088 -9.844259 11.065088X Variable -19.1034 27.398859 -0.697233 0.6123833 -367.2389 329.03211 -367.2389 329.03211X Variable -0.137131 0.0936222 -1.464725 0.381358 -1.326713 1.0524519 -1.326713 1.0524519X Variable 2.1796179 1.3393549 1.627364 0.3507815 -14.8385 19.197735 -14.8385 19.197735X Variable 0.0184916 0.0291736 0.6338474 0.6403504 -0.352194 0.3891776 -0.352194 0.3891776X Variable -0.590726 0.7702437 -0.766934 0.5834909 -10.3776 9.1961476 -10.3776 9.1961476
ARTEMESNIN 1-8SET 2
δd 15.6478789δp 7.947269δh 15.97258
δt 23.73054
Upper 95.0%
SUMMARY OUTPUT
Regression StatisticsMultiple R 1R Square 1Adjusted R 65535 ARTEMESNIN 1-7Standard Er 0Observatio 7
ANOVAdf SS MS F Significance F
Regression 6 17.437985 2.9063309 #NUM! #NUM!Residual 0 0 65535Total 6 17.437985
CoefficientsStandard Error t Stat P-value Lower 95%Upper 95%Lower 95.0%Upper 95.0%Intercept 1687.9872 0 65535 #NUM! 1687.9872 1687.9872 1687.9872 1687.9872X Variable 6.2827595 0 65535 #NUM! 6.2827595 6.2827595 6.2827595 6.2827595X Variable -207.3469 0 65535 #NUM! -207.3469 -207.3469 -207.3469 -207.3469X Variable -0.407155 0 65535 #NUM! -0.407155 -0.407155 -0.407155 -0.407155X Variable 5.6501885 0 65535 #NUM! 5.6501885 5.6501885 5.6501885 5.6501885X Variable 0.0014048 0 65535 #NUM! 0.0014048 0.0014048 0.0014048 0.0014048X Variable -0.109137 0 65535 #NUM! -0.109137 -0.109137 -0.109137 -0.109137
ARTEMESNIN 1-7SET 3
δd 16.50126696δp 6.938536448δh 38.83985
δt 42.76645414
Upper 95.0%
Solvents MVolAcetone 73.8 Methyl acetate 79.8Acetonitrile 52.9 Ethyl acetate 115n-Amyl Acetate 148 Butyl acetate 132.6n-Amyl Alcohol 108.6 Isobutyl acetate 133.5Benzene 52.9 Acetone 73.8Benzyl Alcohol 103.8 2-butanone 90.2Benzyl Benzoate 190.3 Ethanol 58.61-Butanol 92 1- Propanol 75.12-Butanol 92n-Butyl Acetate 132.6 Ethanol 58.6t-Butyl Acetate 134.8 Butanol 92t-Butyl Alcohol 96 Toluene 106.6Butyl Benzoate 178.1 Methanol 40.6Butyl Diglycol Acetate 208.2 Acetone 73.8Butyl Glycol Acetate 171.2 Ethyl acetate 115n-Butyl Propionate 149.3 Hexane 131.4Caprolactone (Epsilon) 110.8 Heptane 147Chloroform 80.5 Methylene Chloride 64.4m-Cresol 105Cyclohexane 108.9Cyclohexanol 105.7Cyclohexanone 104.2Di-isoButyl Ketone 177.4Diacetone Alcohol 124.3Diethyl Ether 104.7Diethylene Glycol Monobuty 170.4Dimethyl Cyclohexane 140Dimethyl Sulfoxide (DMSO) 71.31,4-Dioxane 85.71,3-Dioxolane 69.9Dipropylene Glycol 131.8Dipropylene Glycol Methyl 156.1Dipropylene Glycol Mono n- 211.2Ethanol 58.6Ethyl Acetate 98.6Ethyl Benzene 122.8Ethyl Lactate 115Ethylene Carbonate 66Ethylene Glycol 55.9Ethylene Glycol Monobutyl 132Ethylene Glycol Monomethy 79.3gamma-Butyrolactone (GBL 76.5Glycerol Carbonate 83.2Heptane 147Hexane 131.4
Iso-Butanol 92.9Iso-Butyl Isobutyrate 169.8Iso-Pentyl Acetate 150.2iso-Pentyl Alcohol 109.3Iso-Propyl Acetate 117.1Iso-Propyl Ether 141.8Isophorone 150.3d-Limonene 162.9Methanol 40.6Methyl Acetate 79.8Methyl Carbitol 118.2Methyl Cellosolve 79.3Methyl Cyclohexane 128.2Methyl Ethyl Ketone (MEK) 90.2Methyl iso-Amyl Ketone 141.3Methyl iso-Butyl Carbinol 127.2Methyl Iso-Butyl Ketone (M 125.8Methyl Oleate 340.7Methyl Propyl Ketone 107.3N-Methyl-2-Pyrrolidone (N 96.6Methylene Chloride 64.4N,N-Dimethyl Acetamide 93N,N-Dimethyl Formamide ( 77.41-Nitropropane 89.52-Phenoxy Ethanol 124.72-Propanol 76.91-Propanol 75.1n-Propyl Acetate 115.8n-Propyl Propanoate 132.5Propylene Carbonate 85.2Propylene Glycol Monobutyl 132Propylene Glycol Monoethyl 155.1Propylene Glycol Monometh 98.2Propylene Glycol Monometh 137.1Propylene Glycol Phenyl Eth 143.2sec-Butyl Acetate 134Sulfolane (Tetramethylene 95.3Tetrahydrofuran (THF) 81.9Tetrahydrofurfuryl Alcohol 97.4Toluene 106.6Xylene 123.9
Lovastatin at 298.15K xid = 0.0013Solvent dt ∂d ∂p ∂h dd2Methyl acetate 18.70427759 15.5 7.2 7.6 240.25Ethyl acetate 18.15406291 15.8 5.3 7.2 249.64Butyl acetate 17.40746966 15.8 3.7 6.3 249.64Isobutyl acetate 16.77468331 15.1 3.7 6.3 228.01Acetone 19.93514485 15.5 10.4 7 240.252-butanone 19.05282131 16 9 5.1 256Ethanol 26.52244333 15.8 8.8 19.4 249.641- Propanol 24.59674775 16 6.8 17.4 256
Simvastatin at 298.15K v=376.5Solvent dt ∂d ∂p ∂h dd2Methyl acetate 18.70427759 15.5 7.2 7.6 240.25Ethyl acetate 18.15406291 15.8 5.3 7.2 249.64Butyl acetate 17.40746966 15.8 3.7 6.3 249.64Isobutyl acetate 16.77468331 15.1 3.7 6.3 228.01Ethanol 26.52244333 15.8 8.8 19.4 249.641-propanol 24.59674775 16 6.8 17.4 2561-butanol 23.19762919 16 5.7 15.8 2562-butanol 22.18963722 15.8 5.7 14.5 249.64
Artemisnin at 298.15K v2= 26.4Solvent dt ∂d ∂p ∂h dd2Ethanol 26.52244333 15.8 8.8 19.4 249.64Butanol 23.19762919 16 5.7 15.8 256Toluene 18.16480113 18 1.4 2 324Methanol 29.60726262 15.1 12.3 22.3 228.01Acetone 19.93514485 15.5 10.4 7 240.25Ethyl acetate 18.15406291 15.8 5.3 7.2 249.64Hexane 14.9 14.9 0 0 222.01Heptane 15.3 15.3 0 0 234.09Methylene Chloride 20.2024751 18.2 6.3 6.1 331.24
v2= 360.6dp2 dh2 x2 lnx2 v1 x1 si
51.84 57.76 0.00454 -5.39482827 79.8 0.99546 0.97980724828.09 51.84 0.00658 -5.02372053 115 0.99342 0.97965333213.69 39.69 0.00618 -5.08643701 132.6 0.99382 0.98337046513.69 39.69 0.00511 -5.27655587 133.5 0.99489 0.986316208
108.16 49 0.01319 -4.32829631 73.8 0.98681 0.93869377881 26.01 0.01168 -4.4498773 90.2 0.98832 0.95488554
77.44 376.36 0.0036 -5.633790103 58.6 0.9964 0.97825061346.24 302.76 0.006 -5.108358383 75.1 0.994 0.971832893
xid= 0.01975dp2 dh2 x2 lnx2 v1 x1 si
51.84 57.76 0.02218 -3.8085643 79.8 0.97782 0.90332609328.09 51.84 0.02836 -3.56277558 115 0.97164 0.91277669813.69 39.69 0.03145 -3.4593563 132.6 0.96855 0.91558515913.69 39.69 0.02436 -3.71481284 133.5 0.97564 0.93421622377.44 376.36 0.01866 -3.98137308 58.6 0.98134 0.8911317146.24 302.76 0.02363 -3.74523819 75.1 0.97637 0.89179676832.49 249.64 0.02429 -3.71769054 92 0.97571 0.90754081232.49 210.25 0.02353 -3.74947908 92 0.97647 0.910237508
xid= 0.02674dp2 dh2 x2 lnx2 v1 x1 si
77.44 376.36 0.0468 -3.06187208 58.6 0.9532 0.84055627932.49 249.64 0.0281 -3.5719857 92 0.9719 0.933576287
1.96 4 0.1751 -1.74239804 106.6 0.8249 0.689264944151.29 497.29 0.0142 -4.25451331 40.6 0.9858 0.925647504108.16 49 0.0883 -2.42701517 73.8 0.9117 0.770939946
28.09 51.84 0.1543 -1.86885652 115 0.8457 0.7357305470 0 0.0013 -6.64539101 131.4 0.9987 0.9977622250 0 0.0013 -6.64539101 147 0.9987 0.997999228
39.69 37.21 1.5262 0.422780986 64.4 -0.5262 -0.10873701
si2 A ln r2 lnr2/A0.960022243 0.139656831 -1.25056275 -8.954540470.959720651 0.139612958 -1.62167048 -11.61547260.967017472 0.140674445 -1.55895401 -11.08199870.972819662 0.141518504 -1.36883514 -9.672481710.881146009 0.128182509 -2.3170947 -18.0765280.911806395 0.132642752 -2.19551371 -16.55208210.956974262 0.139213434 -1.01856958 -7.31660410.944459172 0.137392832 -1.5293952 -11.1315501
si2 A ln r2 ln r2/A0.81599803 0.123939362 -0.11603749 -0.93624405
0.8331613 0.126546237 -0.36182621 -2.859241170.838296184 0.127326158 -0.46524549 -3.65396630.872759951 0.132560751 -0.20978895 -1.582587230.794115725 0.120615728 0.056771296 0.4706790470.795301476 0.120795828 -0.1793636 -1.484849290.823630325 0.125098607 -0.20691125 -1.65398525
0.82853232 0.125843156 -0.17512271 -1.39159504
si2 A ln r2 ln r2/A0.706534857 0.064530523 -0.55972263 -8.673765680.871564685 0.079603326 -0.049609 -0.623202660.475086163 0.043391431 -1.87919667 -43.30801350.856823301 0.078256939 0.632918607 8.087699496
0.5943484 0.054284106 -1.19457954 -22.00606460.541299438 0.049438942 -1.75273819 -35.45258310.995529458 0.090925501 3.023796307 33.255756250.996002459 0.090968702 3.023796307 33.23996310.011823737 0.001079907 -4.04437569 -3745.11481
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