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Exact(8)
Analysis of the decoys behavior between the two preparation schemes agreed widely with the general findings observed for the bioactives.
The red dots represent 10 compounds for which the docking fitness deviates more strongly between the two preparation schemes.
We observed that VS performances of GOLD for four of the 18 targets did not significantly differ between the two preparation schemes (Table 1).
No differences in per patient specificity between the two preparation groups were found.
For all analysis, a p value of <0.05 indicated a significant difference between the two preparation groups.
Differences between the two preparation groups for per polyp sensitivity, per patient sensitivity and specificity were tested using the chi-squared test.
Similar(52)
Four of the 18 targets did not significantly differ between the two preparations.
This suggests that the Δfitness values between the two preparations are quite small.
For the remaining 30 bioactives, fitness values between the two preparations were highly similar (R2 = 0.93).
The results of the statistical analysis proved the pharmacokinetic parameters were no significant difference (P > 0.05) between the two preparations.
c 2D representation and the docking pose of the bioactive showing maximum difference in docking rank between the two preparations.
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Justyna Jupowicz-Kozak
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