Table 5. Different Mathematical Models to Predict the Vitreous Half-Life (T1/2) or Clearance (CLivt) and Their Application Using Siponimod.
no. | equation | molecular descriptors in the equation | calculated T1/2 or CLivt for siponimoda | references | ||
---|---|---|---|---|---|---|
1 |
|
MW: molecular weight, P: partition coefficient, and D: distribution coefficient | 0.78 h | (48) | ||
2 |
|
1.16 h | ||||
3 |
|
HD: hydrogen bond donor count, PSA: polar surface area, and Log D7.4: distribution coefficient measured at 7.4 | 0.75 mL/h | (49) | ||
4 |
|
0.52 mL/h | ||||
5 |
|
Log D7.4: distribution coefficient measured at 7.4, Htot: total hydrogen bond count, and FRB: freely rotating bond count | 3.14 h | (50) |