Table 16 Comparison of actual and predicted boiling point for various indices and entropy.

From: A python approach for prediction of physicochemical properties of anti-arrhythmia drugs using topological descriptors

Drugs

B.P

\(M_1(G)\)

\(M_2(G)\)

H(G)

F(G)

SS(G)

\(ENT_{M_1(G)}\)

\(ENT_{M_2(G)}\)

\(ENT_{H(G)}\)

\(ENT_{F(G)}\)

\(ENT_{SS(G)}\)

\(D_1\)

398.60

430.93

428.69

433.04

430.94

433.55

434.75

436.24

434.37

434.75

434.95

\(D_2\)

508.00

435.59

432.53

435.72

435.60

433.67

435.60

437.27

435.60

435.60

434.87

\(D_3\)

445.00

472.88

490.26

490.60

472.89

477.03

489.84

492.78

489.84

489.84

488.98

\(D_4\)

434.90

449.57

455.93

454.78

449.58

450.21

449.36

448.06

449.36

449.36

449.36

\(D_5\)

443.30

443.44

412.85

443.04

413.00

423.31

419.53

418.95

419.53

419.53

419.27

\(D_6\)

635.10

598.71

601.84

601.28

598.73

602.52

588.85

582.88

588.87

588.50

589.83

\(D_7\)

655.20

594.05

611.04

598.73

602.54

590.30

589.04

590.30

589.04

589.04

590.30

\(D_8\)

434.90

561.43

561.38

561.44

561.44

549.23

554.86

556.52

555.00

555.00

554.07

\(D_9\)

519.60

505.50

503.47

529.93

505.51

515.75

523.03

522.84

523.21

523.03

523.47

\(D_{10}\)

487.20

477.54

478.54

463.16

477.55

472.01

476.01

476.66

476.22

476.01

476.26