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Dybdahl M, Nikolov NG, Wedebye EB, et al. (2012) QSAR model for human pregnane X receptor (PXR) binding: screening of environmental chemicals and correlations with genotoxicity, endocrine disruption and teratogenicity. Toxicology and Applied Pharmacology. 262: 301-9
Jónsdóttir SÓ, Ringsted T, Nikolov NG, et al. (2012) Identification of cytochrome P450 2D6 and 2C9 substrates and inhibitors by QSAR analysis. Bioorganic & Medicinal Chemistry. 20: 2042-53
Kouskoumvekaki I, Hansen NT, Björkling F, et al. (2008) Prediction of pH-dependent aqueous solubility of Histone Deacetylase (HDAC) inhibitors. Sar and Qsar in Environmental Research. 19: 167-77
Hansen NT, Kouskoumvekaki I, Jørgensen FS, et al. (2006) Prediction of pH-dependent aqueous solubility of druglike molecules. Journal of Chemical Information and Modeling. 46: 2601-9
Jónsdóttir SO, Jørgensen FS, Brunak S. (2005) Prediction methods and databases within chemoinformatics: emphasis on drugs and drug candidates. Bioinformatics (Oxford, England). 21: 2145-60
Dyekjaer JD, Jónsdóttir SO. (2004) QSPR models for various physical properties of carbohydrates based on molecular mechanics and quantum chemical calculations. Carbohydrate Research. 339: 269-80
Wilczura-Wachnik H, Jónsdóttir SO. (2003) Modeling of the phase equilibria of polystyrene in methylcyclohexane with semi-empirical quantum mechanical methods I. Journal of Molecular Modeling. 9: 108-13
Dyekjær JD, Rasmussen K, Jonsdottir SO. (2002) QSPR models based on molecular mechanics and quantum chemical calculations. 1. Construction of Boltzmann-averaged descriptors for alkanes, alcohols, diols, ethers and cyclic compounds. Journal of Molecular Modeling. 8: 277-289
Jónsdóttir SO, Cooke SA, Macedo EA. (2002) Modeling and measurements of solid-liquid and vapor-liquid equilibria of polyols and carbohydrates in aqueous solution. Carbohydrate Research. 337: 1563-71
Cooke SA, Jónsdóttir SO, Westh P. (2002) A thermodynamic study of glucose and related oligomers in aqueous solution: Vapor pressures and enthalpies of mixing Journal of Chemical and Engineering Data. 47: 1185-1192
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