Leuner C, Dressman J. Improving drug solubility for oral delivery using solid dispersions. Eur J Pharm Biopharm. 2000;50(1):47–60.

Article  CAS  PubMed  Google Scholar 

Vasconcelos T, Sarmento B, Costa P. Solid dispersions as strategy to improve oral bioavailability of poor water soluble drugs. Drug Discovery Today. 2007;12(23–24):1068–75.

Article  CAS  PubMed  Google Scholar 

Huang Y, Dai W-G. Fundamental aspects of solid dispersion technology for poorly soluble drugs. Acta Pharm Sinica B. 2014;4(1):18–25.

Article  Google Scholar 

Hancock BC, Parks M. What is the true solubility advantage for amorphous pharmaceuticals? Pharm Res. 2000;17:397–404.

Article  CAS  PubMed  Google Scholar 

Murdande SB, Pikal MJ, Shanker RM, Bogner RH. Solubility advantage of amorphous pharmaceuticals: I. A thermodynamic analysis. J Pharm Sci. 2010;99(3):1254–64.

Article  CAS  PubMed  Google Scholar 

Paus R, Ji Y, Vahle L, Sadowski G. Predicting the solubility advantage of amorphous pharmaceuticals: a novel thermodynamic approach. Mol Pharm. 2015;12(8):2823–33.

Article  CAS  PubMed  Google Scholar 

Hancock BC, Zografi G. Characteristics and significance of the amorphous state in pharmaceutical systems. J Pharm Sci. 1997;86(1):1–12.

Article  CAS  PubMed  Google Scholar 

Edueng K, Mahlin D, Larsson P, Bergström CA. Mechanism-based selection of stabilization strategy for amorphous formulations: insights into crystallization pathways. J Controlled Release. 2017;256:193–202.

Article  CAS  Google Scholar 

Newman A, Zografi G. What we need to know about solid-state isothermal crystallization of organic molecules from the amorphous state below the glass transition temperature. Mol Pharm. 2020;17(6):1761–77.

Article  CAS  PubMed  Google Scholar 

Wegiel LA, Zhao Y, Mauer LJ, Edgar KJ, Taylor LS. Curcumin amorphous solid dispersions: the influence of intra and intermolecular bonding on physical stability. Pharm Dev Technol. 2014;19(8):976–86.

Article  CAS  PubMed  Google Scholar 

Taylor LS, Zografi G. Spectroscopic characterization of interactions between PVP and indomethacin in amorphous molecular dispersions. Pharm Res. 1997;14:1691–8.

Article  CAS  PubMed  Google Scholar 

Paudel A, Van Humbeeck J, Van den Mooter G. Theoretical and experimental investigation on the solid solubility and miscibility of naproxen in poly (vinylpyrrolidone). Mol Pharm. 2010;7(4):1133–48.

Article  CAS  PubMed  Google Scholar 

DeBoyace K, Wildfong PL. The application of modeling and prediction to the formation and stability of amorphous solid dispersions. J Pharm Sci. 2018;107(1):57–74.

Article  CAS  PubMed  Google Scholar 

Walden DM, Bundey Y, Jagarapu A, Antontsev V, Chakravarty K, Varshney J. Molecular simulation and statistical learning methods toward predicting drug–polymer amorphous solid dispersion miscibility, stability, and formulation design. Molecules. 2021;26(1):182.

Article  CAS  PubMed  PubMed Central  Google Scholar 

Thakore SD, Akhtar J, Jain R, Paudel A, Bansal AK. Analytical and computational methods for the determination of drug-polymer solubility and miscibility. Mol Pharm. 2021;18(8):2835–66.

Article  CAS  PubMed  Google Scholar 

Gross J, Sadowski G, Perturbed-chain SAFT. An equation of state based on a perturbation theory for chain molecules. Ind Eng Chem Res. 2001;40(4):1244–60.

Article  CAS  Google Scholar 

Nair R, Nyamweya N, Gönen S, Martı́nez-Miranda L, Hoag S. Influence of various drugs on the glass transition temperature of poly (vinylpyrrolidone): a thermodynamic and spectroscopic investigation. Int J Pharm. 2001;225(1–2):83–96.

Article  CAS  PubMed  Google Scholar 

Wlodarski K, Sawicki W, Kozyra A, Tajber L. Physical stability of solid dispersions with respect to thermodynamic solubility of tadalafil in PVP-VA. Eur J Pharm Biopharm. 2015;96:237–46.

Article  CAS  PubMed  Google Scholar 

Han R, Xiong H, Ye Z, Yang Y, Huang T, Jing Q, et al. Predicting physical stability of solid dispersions by machine learning techniques. J Controlled Release. 2019;311:16–25.

Article  Google Scholar 

Dong J, Gao H, Ouyang D. PharmSD: a novel AI-based computational platform for solid dispersion formulation design. Int J Pharm. 2021;604:120705.

Article  CAS  PubMed  Google Scholar 

Kothari K, Ragoonanan V, Suryanarayanan R. The role of drug–polymer hydrogen bonding interactions on the molecular mobility and physical stability of nifedipine solid dispersions. Mol Pharm. 2015;12(1):162–70.

Article  CAS  PubMed  Google Scholar 

Gupta P, Thilagavathi R, Chakraborti AK, Bansal AK. Role of molecular interaction in stability of celecoxib – PVP amorphous systems. Mol Pharm. 2005;2(5):384–91.

Article  CAS  PubMed  Google Scholar 

Xiang T-X, Anderson BD. Molecular dynamics simulation of amorphous indomethacin-poly (vinylpyrrolidone) glasses: solubility and hydrogen bonding interactions. J Pharm Sci. 2013;102(3):876–91.

Article  CAS  PubMed  Google Scholar 

Maniruzzaman M, Pang J, Morgan DJ, Douroumis D. Molecular modeling as a predictive tool for the development of solid dispersions. Mol Pharm. 2015;12(4):1040–9.

Article  CAS  PubMed  Google Scholar 

Harvey JA, Auerbach SM. Simulating hydrogen-bond structure and dynamics in glassy solids composed of imidazole oligomers. J Phys Chem B. 2014;118(27):7609–17.

Article  CAS  PubMed  Google Scholar 

Harvey JA, Basak D, Venkataraman D, Auerbach SM. Simulating hydrogen-bond clustering and phase behaviour of imidazole oligomers. Mol Phys. 2012;110(9–10):957–66.

Article  CAS  Google Scholar 

Han R, Huang T, Liu X, Yin X, Li H, Lu J, et al. Insight into the dissolution molecular mechanism of ternary solid dispersions by combined experiments and molecular simulations. AAPS PharmSciTech. 2019;20(7):274.

Article  PubMed  Google Scholar 

Chen W, Ouyang D. Investigation of molecular dissolution mechanism of ketoprofen binary and ternary solid dispersions by molecular dynamics simulations. Mol Simul. 2017;43(13–16):1074–80.

Article  CAS  Google Scholar 

Chan T, Ouyang D. Investigating the molecular dissolution process of binary solid dispersions by molecular dynamics simulations. Asian J Pharm Sci. 2018;13(3):248–54.

Article  PubMed  Google Scholar 

Zhuo X, Foderà V, Larsson P, Schaal Z, Bergström CA, Löbmann K, et al. Analysis of stabilization mechanisms in β-lactoglobulin-based amorphous solid dispersions by experimental and computational approaches. Eur J Pharm Sci. 2024;192:106639.

Article  CAS  PubMed  Google Scholar 

Tran P, Pyo Y-C, Kim D-H, Lee S-E, Kim J-K, Park J-S. Overview of the manufacturing methods of solid dispersion technology for improving the solubility of poorly water-soluble drugs and application to anticancer drugs. Pharmaceutics. 2019;11(3):132.

Article  CAS  PubMed  PubMed Central  Google Scholar 

Lehmkemper K, Kyeremateng SO, Heinzerling O, Degenhardt M, Sadowski G. Long-term physical stability of PVP-and PVPVA-amorphous solid dispersions. Mol Pharm. 2017;14(1):157–71.

Article  CAS  PubMed