Table 5 Comparing actual and predicted values of BP using linear, quadratic and logarithmic models.

From: QSPR analysis of anticancer drugs using the Euler–Sombor index and theoretical insights on its minimum value for unicyclic graphs

BP

Drug

Actual values

Linear model

Quadratic model

Logarithmic model

  

Predicted value

Predicted value

Predicted value

Carmustine

309.6

342.0972

299.6660

266.7893

Caulibugulone

373.0

412.9708

404.2282

409.8463

Convolutamine F

387.7

408.0464

397.3531

401.7265

Perfragilin A

431.5

435.8039

435.3445

445.0201

Melatonin

512.8

445.8925

448.6940

459.4109

Convolutamydine A

504.9

453.0947

458.0746

469.3030

Tambjamine K

391.7

467.5998

476.5887

488.3442

Pterocelin B

521.6

576.3167

599.2614

603.4993

Amathaspiramide E

572.7

550.6979

572.9111

579.8519

Aspidostomide E

798.8

621.3240

641.7355

641.2363

Aminopterin

782.27

666.6731

679.6101

675.2377

Podophyllotoxin

597.9

663.3623

677.0122

672.8738

Convolutamide A

629.9

627.2558

646.9704

645.8942

Deguelin

560.1

721.6988

718.9319

712.1695

Raloxifene

728.2

696.0086

701.4787

695.4548

Minocycline

803.3

778.3284

751.8047

746.1976

Daunorubicin

770.0

808.7992

766.3047

763.1144

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