582
Views
30
CrossRef citations to date
0
Altmetric
Research Article

Data mining of solubility parameters for computational prediction of drug–excipient miscibility

, &
Pages 904-909 | Received 11 Dec 2012, Accepted 22 Mar 2013, Published online: 29 Apr 2013

References

  • Jivraj M, Martini LG, Thomson CM. An overview of the different excipients useful for the direct compression of tablets. Pharm Sci Technol Today 2000;3:58–63
  • Kaialy W, Alhalaweh A, Velaga SP, Nokhodchi A. Influence of lactose carrier particle size on the aerosol performance of budesonide from a dry powder inhaler. Powder Technol 2012;227:74–85
  • Kaialy W, Emami P, Asare-Addo K, Nokhodchi A. Psyllium: a promising polymer for sustained release formulations in combination with HPMC polymers. Pharm Dev Technol 2013. [Epub ahead of print]. doi: 10.3109/10837450.2013.775156
  • Llusá M, Pingali K, Muzzio FJ. Method to study the effect of blend flowability on the homogeneity of acetaminophen. Drug Dev Ind Pharm 2013;39:252–8
  • Marsac PJ, Li T, Taylor LS. Estimation of drug–polymer miscibility and solubility in amorphous solid dispersions using experimentally determined interaction parameters. Pharm Res 2009;26:139–51
  • Serajuddin A. Solid dispersion of poorly water-soluble drugs: early promises, subsequent problems, and recent breakthroughs. J Pharm Sci 1999;88:1058–66
  • Greenhalgh DJ, Williams AC, Timmins P, York P. Solubility parameters as predictors of miscibility in solid dispersions. J Pharm Sci 1999;88:1182–90
  • Gryczke A. Solubility parameters for prediction of drug/polymer miscibility in hot melt extruded formulations. Hot-Melt Extrusion Pharm Appl 2012:71–92
  • Hansen CM. The three dimensional solubility parameter-key to paint component affinities: solvents, plasticizers, polymers, and resins. II. Dyes, emulsifiers, mutual solubility and compatibility, and pigments. III. Independent calculation of the parameter components. J Paint Technol 1967;39:505–10
  • Marsac PJ, Shamblin SL, Taylor LS. Theoretical and practical approaches for prediction of drug–polymer miscibility and solubility. Pharm Res 2006;23:2417–26
  • Meaurio E, Zuza E, Sarasua JR. Miscibility and specific interactions in blends of poly (L-lactide) with poly (vinylphenol). Macromolecules 2005;38:1207–15
  • Yang M, Wang P, Gogos C. Prediction of acetaminophen’s solubility in poly(ethylene oxide) at room temperature using the Flory-Huggins theory. Drug Dev Ind Pharm 2013;39:102–8
  • Hancock BC, York P, Rowe RC. The use of solubility parameters in pharmaceutical dosage form design. Int J Pharm 1997;148:1–21
  • Vay K, Scheler S, Frieß W. Application of Hansen solubility parameters for understanding and prediction of drug distribution in microspheres. Int J Pharm 2011;416:202–9
  • Subrahmanyam C, Prakash KR, Rao PG. Estimation of the solubility parameter of trimethoprim by current methods. Pharm Acta Helv 1996;71:175–83
  • Hildebrand JH, Scott R. The solubility of nonelectrolytes. 3rd ed. New York: Dover; 1964
  • Hansen CM. The universality of the solubility parameter. Ind Eng Chem Pro RD 1969;8:2–11
  • Hansen CM. The three dimensional solubility parameter – key to paint component affinities I. Solvents, plasticizers, polymers, and resins. J Paint Technol 1967;39:104–17
  • Fedors RF. A method for estimating both the solubility parameters and molar volumes of liquids. Polym Eng Sci 2004;14:147–54
  • Van Krevelen DW, Hoftyzer P. Properties of polymers, their estimation and correlation with chemical structure. 2nd ed. Amsterdam, The Netherlands: Elsevier Scientific; 1976
  • Bagley E, Nelson T, Scigliano J. Three-dimensional solubility parameters and their relationship to internal pressure measurements in polar and hydrogen bonding solvents. J Paint Technol 1971;43:35–42
  • Mohammad MA, Alhalaweh A, Velaga SP. Hansen solubility parameter as a tool to predict cocrystal formation. Int J Pharm 2011;407:63–71
  • Cummins MR. Nonhypothesis-driven research: data mining and knowledge discovery. Clin Res Inform 2012:277–91
  • Fayyad U, Piatetsky-Shapiro G, Smyth P. From data mining to knowledge discovery in databases. AI Mag 1996;17:37–54
  • Alzghoul A, Löfstrand M. Increasing availability of industrial systems through data stream mining. Comput Ind Eng 2011;60:195–205
  • Butina D, Segall MD, Frankcombe K. Predicting ADME properties in silico: methods and models. Drug Discov Today 2002;7:S83–8
  • Colbourn E, Roskilly S, Rowe R, York P. Modelling formulations using gene expression programming – a comparative analysis with artificial neural networks. Eur J Pharm Sci 2011;44:366–74
  • Mahlin D, Ponnambalam S, Heidarian-Hoückerfelt M, Bergstroüm CAS. Toward in silico prediction of glass-forming ability from molecular structure alone: a screening tool in early drug development. Mol Pharm 2011;8:498–506
  • Mendyk A, Dorozynski P, Jachowicz R. Drugs release from hydrodynamically balanced systems analyzed with data-mining procedures by artificial neural networks. Eur J Pharm Sci 2008;34:26–7
  • Taha MO, Al-Ghazawi M, Abu-Amara H, Khalil E. Development of quantitative structure–property relationship models for pseudoternary microemulsions formulated with nonionic surfactants and cosurfactants: application of data mining and molecular modeling. Eur J Pharm Sci 2002;15:461–78
  • Han J, Kamber M. Data mining: concepts and techniques. Burlington (MA): Elsevier Science & Technology; 2006
  • Jain AK. Data clustering: 50 years beyond K-means. Pattern Recog Lett 2010;31:651–66
  • Lloyd S. Least squares quantization in PCM. IEEE Trans Inf Theory 1982;28:129–37
  • MacQueen J. Some methods for classification and analysis of multivariate observations. Proceedings of the Fifth Berkeley Symposium on Mathematical Statistics and Probability; 1967; 21 June--18 July 1965 and 27 December 1965--7 January 1966; Berkeley, CA
  • Balakin KV. Pharmaceutical data mining: approaches and applications for drug discovery. USA: Wiley; 2009
  • Ali HRH, Alhalaweh A, Velaga SP. Vibrational spectroscopic investigation of polymorphs and cocrystals of indomethacin. Drug Dev Ind Pharm 2013;39:625--34
  • Taylor LS, Zografi G. Spectroscopic characterization of interactions between PVP and indomethacin in amorphous molecular dispersions. Pharm Res 1997;14:1691–8
  • Alhalaweh A, Sokolowski A, Rodríguez-Hornedo N, Velaga SP. Solubility behavior and solution chemistry of indomethacin cocrystals in organic solvents. Cryst Growth Des 2011;11:3923–9
  • Alhalaweh A, Velaga SP. Formation of cocrystals from stoichiometric solutions of incongruently saturating systems by spray drying. Cryst Growth Des 2010;10:3302–5
  • Ekins S, Mestres J, Testa B. In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling. Br J Pharmacol 2009;152:9–20
  • Valizadeh H, Nokhodchi A, Qarakhani N, et al. Physicochemical characterization of solid dispersions of indomethacin with PEG 6000, Myrj 52, lactose, sorbitol, dextrin, and eudragit® E100. Drug Dev Ind Pharm 2004;30:303–17
  • Forster A, Hempenstall J, Tucker I, Rades T. Selection of excipients for melt extrusion with two poorly water-soluble drugs by solubility parameter calculation and thermal analysis. Int J Pharm 2001;226:147–61

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.