Table 16 Comparison of actual and predicted drug response values for FP.

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

FP

325.1

248.8

412.3

290.3

299.8

358.3

333.1

288.6

411.6

157.1

283.8

498.4

532.6

478.6

305.6

354.4

245.7

\(M_1\)

Linear

267.2

267.2

377.5

336.1

320.0

315.4

331.5

310.8

379.8

221.2

248.8

522.3

545.2

467.1

310.8

345.3

258.0

Cubic

262.5

262.5

388.8

345.7

327.6

322.3

340.6

316.9

391.1

197.7

237.5

511.4

528.1

468.8

316.9

355.7

250.1

\(M_2\)

Linear

271.2

272.2

375.9

327.3

319.0

312.6

329.1

305.2

369.5

221.7

252.0

525.6

549.5

465.9

325.4

340.1

262.1

Cubic

265.1

266.4

392.0

337.9

327.9

320.0

340.1

310.7

385.3

190.4

237.3

512.3

526.0

471.9

335.7

353.0

252.0

H

Linear

257.2

257.7

384.8

341.4

324.4

327.8

334.2

335.2

405.8

224.6

241.5

501.2

538.0

461.3

287.5

356.8

244.5

Cubic

257.5

258.0

384.3

341.5

324.7

328.1

334.4

335.4

405.0

224.1

241.5

500.9

539.3

460.3

288.0

356.6

244.6

F

Linear

273.0

273.0

369.8

334.2

317.9

306.3

326.4

299.3

362.0

230.4

256.8

533.1

544.0

466.6

324.1

335.7

271.5

Cubic

264.6

264.6

389.4

349.3

328.8

313.3

339.7

303.7

381.2

191.9

238.3

515.1

521.3

472.7

336.8

351.2

262.2

SS

Linear

263.9

264.1

382.4

336.5

321.0

321.8

334.0

319.3

390.0

218.2

244.5

514.0

544.7

465.0

303.4

350.7

250.6

Cubic

261.2

261.5

388.9

342.5

326.0

326.8

339.9

324.1

396.4

204.3

237.6

507.5

533.1

465.3

306.7

357.3

245.1

ABC

Linear

263.3

263.0

378.3

342.5

321.9

319.3

333.2

318.7

391.2

222.0

246.3

515.9

541.6

466.1

297.4

350.0

253.4

Cubic

260.8

260.4

384.2

349.2

327.8

325.1

339.7

324.5

396.3

206.1

239.1

508.6

532.6

463.7

301.1

356.8

248.3

RI

Linear

258.4

258.6

380.9

342.6

324.6

323.1

332.8

330.1

401.2

225.8

244.0

506.9

538.5

464.4

289.8

353.9

248.6

Cubic

257.6

257.8

382.2

345.1

327.2

325.7

335.4

332.7

401.6

220.2

241.4

504.1

536.9

462.1

291.5

356.1

246.7

SC

Linear

259.8

260.0

383.2

340.9

323.1

325.0

334.3

328.3

399.8

222.0

242.8

507.1

540.5

463.2

292.5

354.4

247.2

Cubic

258.9

259.1

385.3

343.7

325.8

327.7

337.1

331.1

401.2

215.7

239.8

504.0

536.9

461.7

294.1

357.1

244.8

SA

Linear

261.5

261.7

384.5

338.3

321.9

325.5

335.0

325.6

397.1

218.9

242.4

508.4

542.6

463.1

296.8

354.0

246.9

Cubic

260.0

260.3

387.9

341.9

325.1

328.8

338.6

328.9

400.1

210.9

238.4

504.5

536.2

462.6

298.6

357.7

243.5

HZ

Linear

272.1

272.6

372.6

331.0

318.4

309.1

327.6

302.0

365.5

226.3

254.5

529.9

546.7

466.4

324.7

337.7

267.1

Cubic

264.8

265.5

390.6

344.0

328.4

316.6

339.9

307.1

383.1

190.9

237.7

513.9

523.5

472.4

336.3

352.1

257.3