Table 20 Comparison of actual and predicted drug response values for SA.

From: Graph theoretic and machine learning approaches in molecular property prediction of bladder cancer therapeutics

Index	Equation	\(S_1\)	S1	S2	S3	S4	S5	S6	S7	S8	S9	S10	S11	S12	S13	S14	S15	S16
Actual	SA	93	87	99	92	77	96	116	75	112	51	112	224	222	245	147	77	108
\(M_1\)	Linear	80.6	80.6	137.6	116.2	107.9	105.5	113.9	103.2	138.8	56.8	71.0	212.5	224.4	184.0	103.2	121.0	75.8
\(M_1\)	Cubic	83.6	83.6	128.8	103.9	96.3	94.4	101.5	92.6	130.4	92.7	84.6	226.4	235.7	193.5	92.6	108.8	83.7
\(M_2\)	Linear	81.6	82.1	137.3	111.4	107.0	103.6	112.4	99.7	133.9	55.3	71.4	216.9	229.6	185.2	110.5	118.3	76.8
\(M_2\)	Cubic	81.7	81.8	133.6	101.3	96.9	93.8	102.3	90.7	128.8	90.1	81.5	228.3	231.3	200.6	100.3	108.8	81.1
H	Linear	78.9	79.1	139.7	119.0	110.9	112.6	115.6	116.1	149.7	63.3	71.4	195.2	212.8	176.2	93.3	126.4	72.8
H	Cubic	87.5	87.4	123.7	99.2	92.4	93.7	96.1	96.5	138.5	100.6	92.4	215.6	243.6	182.7	85.0	106.8	91.3
F	Linear	81.5	81.5	134.5	115.0	106.1	99.7	110.7	95.9	130.2	58.2	72.6	223.9	229.8	187.4	109.5	115.8	80.7
F	Cubic	82.0	82.0	132.2	106.2	96.7	91.1	101.4	88.2	126.1	90.0	82.1	229.6	228.6	207.7	100.1	107.2	81.9
SS	Linear	80.3	80.4	139.4	116.6	108.8	109.2	115.3	107.9	143.3	57.5	70.6	205.2	220.5	180.7	100.0	123.7	73.6
SS	Cubic	84.5	84.5	127.8	102.0	95.4	95.7	100.8	94.8	132.9	94.9	86.5	221.7	239.9	187.3	89.6	109.1	85.5
ABC	Linear	79.8	79.6	137.5	119.5	109.2	107.9	114.9	107.6	144.0	59.1	71.3	206.6	219.4	181.6	96.9	123.3	74.8
ABC	Cubic	85.6	85.6	124.2	104.1	95.3	94.3	99.8	94.1	132.5	96.1	87.9	223.6	239.7	187.6	88.2	107.8	86.6
RI	Linear	78.5	78.6	138.3	119.6	110.8	110.1	114.8	113.5	148.2	62.6	71.5	199.7	215.1	179.0	93.8	125.1	73.8
RI	Cubic	87.5	87.5	122.3	100.8	93.4	92.9	96.5	95.4	136.1	99.7	91.5	219.4	242.3	185.6	85.8	106.3	90.0
SC	Linear	79.3	79.4	139.3	118.7	110.1	111.0	115.5	112.6	147.4	61.0	71.1	199.6	215.8	178.2	95.2	125.3	73.2
SC	Cubic	86.4	86.4	124.5	101.0	93.8	94.5	98.1	95.7	135.7	98.6	90.1	218.6	242.5	184.1	86.4	107.6	88.9
SA	Linear	80.0	80.1	140.0	117.5	109.5	111.2	115.9	111.3	146.2	59.2	70.7	200.5	217.3	178.4	97.2	125.1	72.9
SA	Cubic	85.4	85.4	126.6	101.0	94.4	95.8	99.6	95.8	135.0	97.1	88.5	218.5	242.1	184.1	87.5	108.7	87.5
HZ	Linear	81.5	81.8	135.8	113.3	106.5	101.5	111.5	97.7	131.9	56.8	72.0	220.7	229.8	186.4	109.9	117.0	78.8
HZ	Cubic	81.8	81.9	132.9	103.8	96.8	92.3	101.9	89.3	127.4	90.0	81.8	229.4	229.6	204.3	100.2	108.0	81.5

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Table 20 Comparison of actual and predicted drug response values for SA.

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