Site de calculs du paramètre de solubilité moléculaire
Olivier Garrigues · INRIA a CCSD electronic archive server · 2010
The LAGEP is acadymic laboratory foccusing on two main research fields ; chimical ingeniering and the pharmaceutical technology. The laboratory's researchers are using new molecules in order to formulate new chemical composition for in vivo therapy, which needs to investigate the solvency of any new drug in a given solvent. These new molecules are in few quantity, researchers need to predict what will be the best solvent for these molecules before any formulation invistigation. The solubility parameter study gives a good preliminary response. The project, CPSM, aims to construct a software to allow the calculation of the solubility parameters of any molcule using molecular fragments according to performance criteria, method of calculation and use criteria. The proposed study will pointed out the analysis that has been developed for reaching solution. Similarly, the mechanisms will be implemented in details.