Toward in silico prediction of glass-forming ability from molecular structure alone: a screening tool in early drug development.

@article{Mahlin2011TowardIS,
  title={Toward in silico prediction of glass-forming ability from molecular structure alone: a screening tool in early drug development.},
  author={Denny Mahlin and Sopana Ponnambalam and Mina Heidarian H{\"o}ckerfelt and Christel A. S. Bergstr{\"o}m},
  journal={Molecular pharmaceutics},
  year={2011},
  volume={8 2},
  pages={498-506}
}
We present a novel computational tool which predicts the glass-forming ability of drug compounds solely from their molecular structure. Compounds which show solid-state limited aqueous solubility were selected, and their glass-forming ability was determined upon spray-drying, melt-quenching and mechanical activation. The solids produced were analyzed by differential scanning calorimetry (DSC) and powder X-ray diffraction. Compounds becoming at least partially amorphous on processing were… CONTINUE READING

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Glass - forming ability of butanediol isomers

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