Table 8 Actual and predicted values for heat capacity (CV).

From: DFT based structural modeling of chemotherapy drugs via topological indices and curvilinear regression

Drugs

Actual CV

Heat capacity predicted from regression models

Linear

Quad.

Cubic

Gemcitabine

62.622

58.923

61.08616

62.5190476

Cytrabine

60.357

57.327

58.54403

60.23960568

Fludarabine

67.132

66.28

68.09858

66.72251265

Capcitabine

92.468

89.863

92.55783

93.10142717

Clofarabine

66.414

66.357

68.1684

66.75156837

Alteramine

53.211

52.007

52.71542

53.2042274

Dacarbazine

46.949

49.984

48.7377

46.83458612

Mechlorethamine

34.281

44.993

40.16437

28.45343

Carmustine

45.011

48.185

47.13808

43.89524