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