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. 2024 Jun 7;14:13150. doi: 10.1038/s41598-024-63007-w

Table 5.

Correlation coefficients (r) of degree based indices and the physicochemical properties of antiviral drugs modeled as molecular multigraphs using linear regression model.

Index BP E FP MR PSA P ST MV
M1 0.9863 0.9826 0.8587 0.8895 0.8934 0.8897 0.3945 0.7534
M2 0.9807 0.9778 0.7703 0.8216 0.908 0.8216 0.5083 0.6969
mM2 0.8824 0.8725 0.9553 0.9860 0.737 0.9861 0.0404 0.9353
ReZG3 0.9483 0.9462 0.6592 0.7328 0.8988 0.7328 0.6086 0.5435
F 0.9814 0.9788 0.7769 0.824 0.9138 0.8242 0.5009 0.6608
SDD 0.9773 0.9722 0.8994 0.9283 0.8661 0.9285 0.3141 0.8118
H 0.9307 0.9238 0.9589 0.9723 0.7975 0.9725 0.1447 0.8985
I 0.9864 0.9827 0.8608 0.8915 0.8909 0.8917 0.3916 0.7564
A 0.9851 0.9811 0.7953 0.8504 0.8949 0.8504 0.4678 0.6952
R-1/2 0.9363 0.9293 0.9535 0.9712 0.8039 0.9714 0.1597 0.8932

Bolded values represent the highly correlated values for multigraph and * represent highly correlated values for multigraph compared to simple graph.