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Coupled with the correlation between the two spectral components, comparing fit values directly is problematic.
Several compounds showed significant high simulation docking score and fit values.
An optimization routine provided the best fit values for the diffusivity.
Compounds with fit values (⩾2) were chosen for synthesis and subsequent in vitro biological evaluation.
The compounds with high fit values were synthesized and biologically evaluated in vivo as hypotensive agents.
Best fit values of the diffusive speed inferred from both sets of measurements are similar in magnitude.
Similar(24)
which are very close to the best-fit values.
The goodness-of-fit values, R2 = 0.99997, plotted against S (see Supplementary Information, Fig. S5).
int-unc differs from int_proj ("ahelp int_proj") in that all other thawed parameters are fixed to their best-fit values, instead of being allowed to float to new best-fit values.
reg_proj differs from reg_unc ("ahelp reg_unc") in that all other thawed parameters are allowed to float to new best-fit values, instead of being fixed to the initial best-fit values.
int_proj differs from int_unc ("ahelp int_unc") in that all other thawed parameters are allowed to float to new best-fit values, instead of being fixed to the initial best-fit values.
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