Research Article
Degree-Based Molecular Descriptors and QSPR Analysis of Breast Cancer Drugs
Table 1
Computed values of topological indices for breast cancer drugs.
| Drug name | | | | | | | | | | | |
| Alpelisib | 162 | 178 | 13.914 | 76.786 | 13.002 | 23.501 | 243.092 | 460 | 33.93 | 119.715 | 36.614 | Azacitidine | 92 | 109 | 8.541 | 44.49 | 8.133 | 13.67 | 140.33 | 242 | 20.072 | 66.994 | 21.567 | Cytarabine | 88 | 105 | 8.041 | 42.489 | 7.633 | 12.963 | 142.453 | 234 | 19.072 | 64.166 | 20.567 | Daunorubicin | 216 | 270 | 17.89 | 104.068 | 16.919 | 30.174 | 345.43 | 606 | 45.545 | 157.722 | 50.298 | Dexamethasone | 160 | 207 | 12.591 | 76.37 | 11.812 | 21.603 | 254.87 | 480 | 32.767 | 117.69 | 36.605 | Docetaxel | 319 | 391 | 26.702 | 151.612 | 24.998 | 45.219 | 486.765 | 923 | 66.36 | 235.358 | 72.419 | Doxorubicin | 220 | 275 | 17.971 | 106.2 | 17.486 | 30.771 | 358.054 | 614 | 46.591 | 160.401 | 51.414 | Glasdegib | 145 | 171 | 12.911 | 71.004 | 12.6 | 21.311 | 240.922 | 369 | 32.22 | 104.53 | 34.8 | Gilteritinib | 210 | 247 | 19.44 | 102.81 | 18.93 | 31.198 | 358.47 | 532 | 46.87 | 151.404 | 50.383 | Ivosidenib | 226 | 275 | 19.75 | 109.509 | 18.367 | 32.199 | 366.3 | 612 | 45.652 | 164.23 | 53.22 | Midostaurin | 266 | 349 | 20.903 | 130.503 | 20.374 | 35.623 | 471.18 | 744 | 56.8 | 188.54 | 64.13 | Olaparib | 176 | 212 | 15.508 | 86.12 | 15.067 | 25.57 | 296.625 | 456 | 38.789 | 126.906 | 42.2 | Paclitaxel | 337 | 411 | 29.083 | 161.874 | 27.645 | 48.34 | 537.83 | 941 | 71.713 | 246.643 | 78.04 | Palbociclib | 180 | 217 | 16.025 | 88.221 | 15.6 | 26.236 | 308.016 | 464 | 39.823 | 129.595 | 43.3 | Pamidronic acid | 64 | 74 | 5.561 | 28.243 | 4.8 | 9.408 | 78.519 | 216 | 12.061 | 49.712 | 12.6 | Prednisone | 151 | 202 | 11.252 | 73.012 | 10.945 | 19.762 | 254.75 | 451 | 31.172 | 109.98 | 35.388 | Ribociclib | 174 | 208 | 15.597 | 85.388 | 15.233 | 49.996 | 297.86 | 444 | 38.698 | 125.158 | 41.95 | Tioguanine | 58 | 68 | 5.271 | 28.161 | 5.067 | 8.623 | 93.531 | 150 | 12.754 | 40.25 | 13.7 | Toremifene | 142 | 162 | 14.186 | 69.823 | 13.9 | 21.977 | 252.312 | 344 | 32.497 | 101.962 | 34.367 | Tucatinib | 202 | 239 | 17.416 | 98.18 | 16.9 | 29.26 | 325.68 | 532 | 44.154 | 146.484 | 47.82 | Venetoclax | 334 | 394 | 29.298 | 160.574 | 28.252 | 48.771 | 535.931 | 886 | 72.763 | 242.909 | 78.514 |
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