, 2011), and for which most of the compounds display solid-state limited aqueous solubility, was extended with a

diverse set of molecules to allow general conclusions to be drawn applicable to the drug-like space of oral drugs. In total 50 compounds were included in the final dataset subjected to analysis of properties of importance for glass-forming ability and glass stability (Table 1). All of the compounds studied were used in their free form, i.e. no salts of compounds were included. Differential Scanning Calorimetry (DSC) verified that the starting material was crystalline and none of the compounds showed any traces of solvates. Bicalutamide, felodipine and linaprazan were received as a kind gift from AstraZeneca (Mölndal, Sweden) and acitretin was purchased from Ontario Chemicals (Canada). All the other drugs were obtained from Sigma–Aldrich Chemie GmbH (Germany). The specified purity of the drugs used was >98%, Paclitaxel supplier except for griseofulvin (>96%). Ethanol (Alita Corporation, Finland) and acetone (VWR International S.A.S., www.selleckchem.com/mTOR.html France) were used as solvents in the spray-drying feed solution. Two different

methods, spray-drying and melt-cooling, were used to test the susceptibility of the compounds to be transformed into the amorphous form. Only the compounds for which both these methods resulted in the same outcome, i.e. formation of either a crystalline or an amorphous solid, were included in the dataset that was utilized for statistical modelling. The dual production procedure was applied for two reasons. Firstly, the idea was to identify the inherent glass-forming ability of the drug compounds rather than the process dependent glass-forming properties. to Secondly, we wanted to minimize the risk of false classification that may be caused by hidden processes that affect the outcome, such as chemical degradation upon heating. Melt-cooling was done in DSC using unprocessed substance and spray-drying by using

solutions of the compounds as described in detail previously (Mahlin et al., 2011). Briefly, the solubility of each compound in a solvent mixture of ethanol and acetone (90:10 w/w) was determined by preparing a dispersion of the drug in the solvent mixture, which was subsequently stepwise diluted and sonicated until complete dissolution was observed. Solutions of the compounds at a Libraries concentration corresponding to 75% of the solubility were spray-dried in a Büchi B-290-Mini Spray Dryer with an inert loop (Büchi Laboratoriums, Switzerland) using a standardised procedure with the following settings: inlet temperature 50 °C, pump rate of spray solution 4 ml/min, and aspirator rate 75% of the maximum flow. The produced material was dried over vacuum at room temperature (22 °C) for 1 h prior to solid state analysis. The solid state of the spray-dried material was analysed by DSC (DSC6200, Seiko, Japan). The temperature and heat flow was calibrated using indium.