Table 14 Comparison of actual and predicted drug response values for BP.

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

BP

614

487.8

758.1

523.3

521.1

668.9

627.2

553.6

757

386.5

543.7

900.5

957.1

867.7

581.8

662.3

482.7

\(M_1\)

Linear

518.6

518.6

697.3

630.3

604.2

596.8

622.8

589.3

701.0

444.1

488.8

931.9

969.1

842.5

589.3

645.2

503.7

Cubic

511.5

511.5

711.9

635.1

605.3

596.8

626.6

588.4

716.1

440.6

481.6

926.0

943.8

861.1

588.4

652.2

496.3

\(M_2\)

Linear

525.0

526.5

694.9

615.9

602.5

592.1

618.9

580.1

684.4

444.5

493.7

937.7

976.5

840.9

612.9

636.8

510.1

Cubic

515.1

516.8

717.1

622.7

606.5

593.9

626.3

579.6

704.9

430.0

480.4

928.0

940.1

866.7

619.1

647.9

498.3

H

Linear

502.6

503.4

709.1

638.8

611.4

616.9

627.2

628.8

743.1

449.9

477.2

897.5

957.0

832.9

551.6

663.7

482.1

Cubic

505.0

505.5

705.2

627.0

598.5

604.1

614.8

616.5

744.3

475.5

489.2

911.2

962.0

845.6

542.5

654.1

492.1

F

Linear

527.8

527.8

684.9

627.1

600.7

581.8

614.5

570.5

672.4

458.7

501.4

950.2

967.8

842.1

610.8

629.6

525.3

Cubic

516.1

516.1

711.2

641.1

608.1

584.3

625.4

570.0

696.3

431.5

483.3

929.3

934.1

868.8

620.7

644.2

513.0

SS

Linear

513.4

513.7

705.1

631.0

605.9

607.1

626.9

603.0

717.6

439.5

482.0

918.2

967.9

838.9

577.3

653.9

491.8

Cubic

508.9

509.2

713.0

629.6

602.0

603.4

625.1

598.9

727.1

450.0

481.8

921.1

951.6

854.8

571.6

655.2

489.9

ABC

Linear

512.5

512.0

698.6

640.6

607.2

603.0

625.6

602.1

719.4

445.6

484.9

921.3

962.7

840.6

567.6

652.8

496.5

Cubic

509.5

509.0

704.1

640.7

604.7

600.3

624.4

599.3

726.8

452.3

484.7

921.9

951.1

852.1

563.4

654.0

494.9

RI

Linear

504.5

504.8

702.8

640.9

611.6

609.2

624.9

620.5

735.6

451.7

481.2

906.6

957.9

837.9

555.3

659.0

488.7

Cubic

505.9

506.2

701.0

633.4

602.9

600.5

616.6

612.0

737.6

470.3

489.0

915.6

958.0

848.8

548.5

652.9

494.2

SC

Linear

506.9

507.2

706.5

638.0

609.2

612.3

627.3

617.6

733.4

445.7

479.3

907.1

960.9

836.0

559.7

659.9

486.5

Cubic

506.5

506.7

706.8

631.1

600.8

604.0

619.7

609.5

736.9

465.0

486.1

915.8

958.0

848.3

552.0

654.9

491.2

SA

Linear

509.5

509.9

708.6

633.9

607.3

613.1

628.5

613.3

728.9

440.6

478.6

909.0

964.5

835.8

566.6

659.2

485.9

Cubic

507.2

507.6

711.6

628.3

599.9

606.0

622.5

606.2

734.5

459.0

483.5

916.9

956.8

849.8

558.7

656.1

488.8

HZ

Linear

526.4

527.1

689.5

622.0

601.5

586.5

616.5

574.9

677.9

452.0

497.7

944.8

972.1

841.7

611.7

632.9

518.2

Cubic

515.6

516.5

714.0

632.6

607.4

588.9

625.9

574.6

700.3

430.3

481.8

928.9

936.7

868.0

620.0

646.0

505.9