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. 2023 Oct 16;13:17506. doi: 10.1038/s41598-023-44787-z

Table 4.

The correlation results of the sitagliptin phosphate–CO2 system provided by semi-empirical models and new association model.

Sl. no Name of the model
& Equation number		 Model parameters R2 R2adj AARD%
1

Chrastil Model

& Eq. (6)

κ= 3.2364;

A1=− 14.548;

B1=− 2624.0

 0.92249 0.91951 4.97
2

Reformulated Chrastil Model

& Eq. (7)

κ′= 3.2439;

A2=− 17.896;

B2=− 1910.2

 0.96697 0.96570 4.95
3

MT Model

& Eq. (8)

A3=− 6486.6;

B3= 2.193;

C3= 10.103

 0.91635 0.9059 8.721
4

Bartle et. al. Model

& Eq. (9)

A4= 9.8241;

B4=− 4861,2

C4= 0.0065735

 0.89618 0.89219 9.06
5

KJ Model

& Eq. (10)

A5=− 4.197

B5= 0.0031559

C5=− 2671.2

 0.98536 0.98480 3.16
6

New Association Model

& Eq. (30)

κ″= 1.1945;

A6=− 1519.5;

B6= 2.1846;

C6= 0.0024843;

D6=− 20.894

 0.98817 0.98772 2.53