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Building a Chemical Space Map for in- silico Prediction of Supersaturation by Mesoporous Silica
13:50 - 14:25
Mesoporous silica has received increasing attention for stabilizing API in amorphous phase and yielding enhancement of apparent solubility relative to crystalline form.
The objective of our research is to elucidate molecular descriptors of drug like compounds which are most important for in- silico prediction of supersaturation by mesoporous silica.
Preliminary data on 12 test compounds demonstrates good correlation of total hydrogen bond formers and Tm/Tg with high probability of a solubility enhancing formulation with mesoporous silica.
This technology has shown promise to be used in quick evaluation of amorphous formulations in preclinical PK studies
, Senior Principal Scientist
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