In silico predictions of tablet density using a quantitative structure–property relationship model

The purpose of this study was to explore the potential of a quantitative structure–property relationship (QSPR) model to predict tablet density. First, we calculated 3381 molecular descriptors for 81 active pharmaceutical ingredients (API). Second, we obtained data that were merged with a dataset including powder properties that we had constructed previously. Next, we prepared 81 types of tablet, each containing API, microcrystalline cellulose,...