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

Table 6.

Correlation coefficients (r) between ‘NBD’ and the physicochemical properties of antiviral drugs, modeled as molecular multigraphs using a linear regression model.

Index BP E FP MR PSA P ST MV
NM1 0.9845 0.9816 0.7862 0.8322 0.9094 0.8323 0.4899 0.6721
NM2 0.9157 0.9146 0.5803 0.6613 0.8904 0.6612 0.6661 0.4583
NmM2 0.728 0.7168 0.9513 0.9638 0.5887 0.964 0.2036 0.9755
NDe3 0.7684 0.7688 0.3337 0.4358 0.7822 0.4356 0.7841 0.2085
NF 0.91 0.909 0.5715 0.6501 0.8946 0.6501 0.6664 0.4464
NDe5 0.194 0.2146 0.1972 0.0534 0.5369 0.0551 0.2403 0.0169
NH 0.8857 0.8782 0.9781 0.9781 0.758 0.9784 0.0446 0.9285
NI 0.9858 0.9828 0.7902 0.839 0.889 0.839 0.4949 0.6802
S 0.8439 0.8433 0.4498 0.5446 0.8265 0.5444 0.7427 0.3261
NR-1/2 0.8873 0.8798 0.9777 0.9818 0.7523 0.9821 0.0492 0.9321

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