Figure 5.

PLS-DA of drug precipitation behavior from LBFs under digestive conditions. Crystalline (blue), amorphous (yellow). (A) The score plot displaying the drugs colored by solid form of the precipitate. (B) VIP plot summarizes the importance of the variables in all dimensions; a VIP-value > 1 indicates the most important x-variables. The error bars shows the 95% confidence interval. (C,D) Molecular weight (M_w) and melting point (T_m) of drugs precipitating in amorphous and crystalline form, respectively. Overall, the M_w is higher for the amorphous group than the crystalline group, while a high T_m is more likely to result in a crystalline precipitate. (E) Observed relation between glass-forming classification^24,25 and lipolysis-triggered precipitation behavior. For the three drugs classified as nonglassformers (nGF) all precipitated in a crystalline form, while in the group classified as glass-formers (GF) most drugs precipitated in an amorphous form. Halofantrine had not been classified (GF/nGF) in previous studies; thus, the total number of compounds is 11.