Table 3 Validation of the uptake rates of Mitoxantrone for the testing set of substrate compounds: Correlation between the experimental values of testing substrates and their calculated values based on the best linear model for each polymorph of BCRP
From: Computational analysis and predictive modeling of polymorph descriptors
TEST SET | 482R | 482R | 482G | 482G | 482T | 482T |
|---|---|---|---|---|---|---|
| Â | Exp. Uptake value | Cal. Uptake value | Exp. Uptake value | Cal. Uptake value | Exp. Uptake value | Cal. Uptake value |
Acyclovir | 212 | 160 | 248 | 230 | 274 | 312 |
Epinephrine | 181 | 188 | 123 | 119 | 115 | 105 |
Foscarnet | 126 | 111 | 111 | 135 | 128 | 115 |
FumitremorginC | 305 | 361 | 291 | 406 | 327 | 391 |
Ketoconazole | 270 | 272 | 258 | 266 | 263 | 204 |
PEITC | 288 | 266 | 313 | 346 | 329 | 355 |
Quercetin | 247 | 274 | 252 | 269 | 239 | 288 |