Calculate pharmaceutical solubility using classical ... - Lammps
Calculate pharmaceutical solubility using classical ... - Lammps
Calculate pharmaceutical solubility using classical ... - Lammps
You also want an ePaper? Increase the reach of your titles
YUMPU automatically turns print PDFs into web optimized ePapers that Google loves.
Comparison between calculated and experimental data<br />
of the <strong>solubility</strong> of a tentative set of molecules in MeOH<br />
API<br />
<strong>Calculate</strong>d<br />
<strong>solubility</strong><br />
(Mole fr.)<br />
Experimental<br />
<strong>solubility</strong><br />
(Mole fr.)<br />
Relative<br />
error<br />
Paracetamol 0.0630 0.0950 0.34<br />
Naproxen 0.0296 0.0120 1.47<br />
Trimethoprim 0.0011 0.0017 0.35<br />
Temazepam 0.0100 0.0055 0.83<br />
Butylparaben 0.0413 0.3360 0.88<br />
Diclofenac 0.0008 0.0059 0.86<br />
Carbamazepine 0.0130 0.0130 0.00<br />
Flurbiprofen 0.0278 0.0480 0.42<br />
Salicylamide 0.0374 0.0410 0.09<br />
AZD0865 0.0050 0.0014 2.46<br />
AZD8330 0.0050 0.0023 1.15
Change language