2013 AIChE Annual Meeting

(576d) Ab Initio Prediction of Thermodynamic Equlibria of Pharmaceutically Relevant Solutes in Organic Solvents : An Application of COSMO-SAC Formalism

Authors

Jose E. Tabora - Presenter, Bristol-Myers Squibb
Benjamin Cohen, Bristol-Myers Squibb Company
Ruichang Xiong, University of Delaware
Stanley I. Sandler, University of Delaware



This is a temporary abstract.

This work will describe the structure or an industry-academia collaboration with the goal of improving ab intio models to estimate thermodynamic properties of pharmaceutically relevant entities in organic solvents.

Results from simulations will be presented from case studies and will be contextualized to the goals of process development

Additional information will be provided shortly.