Table 18 Comparison of actual and predicted drug response values for MV.

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

MV

177.5

161

359

319.5

324.1

284.8

280.6

315.4

416.8

195.7

128.4

585.7

610.6

469.8

213.7

389.7

142.3

\(M_1\)

Linear

202.6

202.6

368.6

306.4

282.2

275.3

299.5

268.3

372.1

133.5

175.0

586.5

621.1

503.5

268.3

320.2

188.8

Cubic

196.1

196.1

382.3

311.3

283.7

275.8

303.4

268.0

386.2

128.7

167.9

580.6

597.7

520.0

268.0

327.2

181.8

\(M_2\)

Linear

210.1

211.5

365.7

293.4

281.1

271.5

296.1

260.6

356.1

136.4

181.5

588.1

623.6

499.4

290.6

312.5

196.5

Cubic

203.2

204.7

381.0

297.6

283.4

272.4

300.8

259.8

370.1

127.9

172.6

581.8

598.4

518.0

294.5

319.8

188.5

H

Linear

26.9

27.0

54.5

45.1

41.5

42.2

43.6

43.8

59.1

19.9

23.5

79.7

87.7

71.1

33.5

48.5

24.2

Cubic

26.7

26.8

55.0

45.9

42.2

43.0

44.4

44.6

59.3

18.4

22.8

78.9

86.9

70.6

33.9

49.2

23.5

F

Linear

30.9

30.9

51.1

43.6

40.3

37.8

42.0

36.4

49.5

22.0

27.5

85.1

87.4

71.3

41.6

44.0

30.6

Cubic

29.7

29.7

54.0

46.2

42.2

39.2

44.4

37.4

52.4

15.1

24.4

82.3

84.2

71.2

43.8

46.6

29.2

SS

Linear

197.2

197.4

376.3

307.0

283.5

284.7

303.2

280.9

387.9

128.1

167.8

575.4

621.8

501.3

256.8

328.5

176.9

Cubic

191.8

192.0

386.5

307.8

281.5

282.8

303.5

278.6

399.5

133.4

165.1

575.9

601.5

517.0

252.4

332.1

173.1

ABC

Linear

195.4

194.9

370.6

316.0

284.5

280.6

301.9

279.7

390.2

132.3

169.4

580.3

619.4

504.3

247.3

327.5

180.3

Cubic

190.5

190.0

380.2

319.9

285.2

280.8

304.2

279.9

401.4

130.8

164.9

576.8

601.2

515.9

244.6

332.6

175.5

RI

Linear

186.1

186.5

375.4

316.2

288.4

286.0

301.0

296.8

406.6

135.8

164.0

569.8

618.6

504.2

234.6

333.6

171.1

Cubic

183.6

184.0

380.3

318.3

289.0

286.5

302.3

297.9

412.7

134.4

161.6

568.4

608.1

509.3

232.9

336.6

168.7

SC

Linear

189.2

189.5

378.5

313.5

286.2

289.1

303.4

294.2

403.9

131.3

163.1

568.5

619.6

501.2

239.3

334.3

169.9

Cubic

186.2

186.5

384.2

313.7

284.4

287.5

302.8

292.9

411.5

135.2

162.4

569.7

606.9

510.5

235.4

336.2

168.5

SA

Linear

192.6

193.0

380.0

309.6

284.6

290.1

304.6

290.3

399.1

127.7

163.5

568.6

620.9

499.7

246.4

333.5

170.4

Cubic

188.6

188.9

387.2

308.7

281.3

287.3

303.2

287.5

408.4

135.7

163.3

571.5

605.2

512.8

240.9

335.2

169.0

HZ

Linear

211.1

211.7

360.9

298.9

280.1

266.3

293.8

255.6

350.3

142.8

184.8

595.3

620.4

500.7

289.5

308.9

203.6

Cubic

204.0

204.7

377.4

306.9

285.0

268.9

301.1

256.4

365.5

124.8

173.2

583.9

597.1

516.0

296.0

318.5

195.1D