References
- Goodby JW, Mandle RJ, Davis EJ, et al. What makes a liquid crystal? The effect of free volume on soft matter. Liq Cryst. 2015;42:593–622.
- Schadt M. Nematic liquid crystals and twisted-nematic LCDs. Liq Cryst. 2015;42:646–652.
- Villanueva-García M, Gutiérrez-Parra RN, Martínez-Richa A, et al. Quantitative structure-property relationships to estimate nematic transition temperatures in thermotropic liquid crystals. J Mol Struct Theochem. 2005;727:63–69.
- Ren YY, Liu HX, Yao XJ, et al. Prediction of nematic-isotropic transition temperatures in thermotropic liquid crystals by a heuristic method. Liq Cryst. 2007;34:1291–1297.
- Fatemi MH, Ghorbanzad’e M. In silico prediction of nematic-isotropic transition temperature for liquid crystals using quantitative structure-property relationship approaches. Mol Divers. 2009;13:483–491.
- Xu J, Wang L, Zhang H, et al. Accurate quantitative structure-property relationship analysis for prediction of nematic-isotropic transition temperatures in thermotropic liquid crystals. Mol Simulat. 2010;36:26–34.
- Al-Fahemi JH. QSPR study on nematic-isotropic transition temperatures of thermotropic liquid crystals based on DFT-calculated descriptors. Liq Cryst. 2014;41:1575–1582.
- Asano T, Uenoyama M, Moriya K, et al. Polymorphism in a homologous series of 2-(4-alkoxyphenyl)-5-(4-methylphenyl) pyridines. Liq Cryst. 1997;23:365–369.
- Asano T, Moriya K, Yano S, et al. Liquid crystalline phase transitions of the 2-(4-alkoxybiphenyl-4-yl)-5-(4-methylphenyl) pyridines. Liq Cryst. 1998;1:263–266.
- Moriya K, Harada F, Yano S, et al. The synthesis and liquid crystalline behaviour of 2-(4–alkoxyphenyl)-5-methylpyridines. Liq Cryst. 2000;27:1647–1651.
- Getmanenko YA, Twieg RJ, Ellman BD. 2,5-Dibromopyridine as a key building block in the synthesis 2,5-disubstituted pyridine-based liquid crystals. Liq Cryst. 2006;33:267–288.
- Chia WL, Li CL, Lin CH. Synthesis and mesomorphic studies on the series of 2-(4-alkoxyphenyl)-5-phenylpyridines and 2-(6-alkoxynaphthalen-2-yl)-5-phenylpyridines. Liq Cryst. 2010;37:23–30.
- Chia WL, Lin XM. Synthesis and thermotropic studies of a new series of teraryl liquid crystals 2-(4ʹ-alkoxybiphen-4-yl)-5-cyanopyridines. Int J Mol Sci. 2013;14:18809–18823.
- Chia WL, Lin CW. Synthesis and thermotropic studies of a novel series of nematogenic liquid crystals 2-(6-alkoxynaphthalen-2-yl)-5-cyanopyridines. Liq Cryst. 2013;40:922–931.
- Chia WL, Huang YS. Effect of pyridine on the mesophase of teraryl liquid crystals: a new series of nematic liquid crystals named 2-(4-alkoxybiphen-41-yl)-5-methylpyridines. Int J Mol Sci. 2016;17:344–357.
- Kelly SM, Fünfschilling J. Novel 2-(4-octylphenyl)pyridin-5-yl alkanoates and alkenoates: influence of dipoles and chain conformation on smectic C formation. Liq Cryst. 1996;20:77–93.
- Lee CH, Yamamoto T. Synthesis of novel nematic liquid crystals containing 3,3ʹ-dimethyl-2,2ʹ-bipydiyl. Liq Cryst. 2002;29:67–70.
- Burrow MP, Gray GW, Lacey KJ. The synthesis and liquid crystal properties of some 2,5-disubstituted pyridines. Liq Cryst. 1988;3:1643–1653.
- Petrov VF. Nitrogen-containing fused heterocycles as the structural fragments in calamitic liquid crystals. Liq Cryst. 2001;28:217–240.
- Smola AJ, Schölkopf BA Tutorial on support vector regression. NeuroCOLT2 Technical Report Series, NC2-TR-1998-030. 1998. Available from: http://www.svms.org/regression/SmSc98.pdf.
- Friedman JH. Exploratory projection pursuit. J Am Stat Assoc. 1987;82:249–266.
- Guha R, Serra JR, Jurs PC. Generation of QSAR sets with a self-organizing map. J Mol Graph Model. 2004;23:1–14.
- Katritzky AR, Lobanov VS, Karelson M. CODESSA(comprehensive descriptors for structural and statistical analysis), Version 2.0. Gainesville (FL): University of Florida; 1994.
- Dragon (Software for Molecular Descriptor Calculation). Version 6.0. Milano (Italy): Talete srl; 2013. Software Available from: http://www.talete.mi.it/.
- HyperChem. Release 6.0 for Windows. Gainesville (FL): Hypercube, Inc.; 2000. Software Available from: http://www.hyper.com.
- Tropsha A, Gramatica P, Gombar VK. The importance of being earnest: validation is the absolute essential for successful application and interpretation of QSPR models. QSAR Comb Sci. 2003;22:69–77.
- Puzyn T, Mostrag-Szlichtyng A, Gajewicz A. Investigating the influence of data splitting on the predictive ability of QSAR/QSPR models. Struct Chem. 2011;22:795–804.
- Daszykowski M, Walczak B, Massart DL. Representative subset selection. Anal Chim Acta. 2002;468:91–103.
- Ren YY, Qin J, Liu HX, et al. QSPR study on the melting points of a diverse set of potential ionic liquids by projection pursuit regression. Mol Inform. 2010;28:1237–1244.
- Ren YY, Zhao BW, Yao XJ. Use of advanced statistical learning methods and principal component analysis in quantitative structure- genotoxicity relationship study of amines. Collect Czech Chem C. 2011;76:243–264.
- Ren YY, Zhou LC, Yang L, et al. Predicting the aquatic toxicity mode of action using logistic regression and linear discriminant analysis. SAR QSAR Environ Res. 2016;27:721–746.
- The R Development Core Team. R 3.2.0 (The R foundation for Statistical Computing). 2013. Software Available from: http://cran.R-project.org
- Topliss JG, Costello RJ. Chance correlations in structure-activity studies using multiple regression analysis. J Med Chem. 1972;15:1066–1068.
- Katritzky AR, Kuanar M, Fara DC, et al. QSPR treatment of rat blood: air,saline: airand olive oil: airpartition coefficients using theoretical molecular descriptors. Bioorgan Med Chem. 2004;12:4735–4748.
- Famini GR, Penski CA, Wilson LY. Using theoretical descriptors in quantitative structure activity relationship: some physicochemical properties. J Phys Org Chem. 1992;5:395–408.
- Balaban AT, Ciubotariu D, Medeleanu M. Topological indices and real number vetex invariants based on graph eigenvalues or eigenvectors. J Chem Inf Model. 1991;31:517–523.
- Todeschini R, Consonni V. Molecular descriptors for chemoinformatics. 2nd ed. Weinheim: Germany): Wiley–VCH; 2009.
- Moran PAP. Notes on continuous stochastic phenomena. Biometrika. 1950;37:17–23.
- Geary RC. The contiguity ratio and statistical mapping. Inc Stat. 1954;5:115–145.
- Kier LB, Hall LH. Molecular structure description: the electrotopological state. San Diego (CA): Academic Press; 1999.
- Todeschini R, Consonni V. Handbook of molecular descriptors. Weinheim (Germany): Wiley–VCH; 2000.
- Consonni V, Todeschini R, Pavan M. Structure/response correlations and similarity/diversity analysis by GETAWAY descriptors. 1. Theory of the novel 3D molecular descriptors. J Chem Inf Comp Sci. 2002;42:682–692.
- Sun J. Some practical aspects of exploratory projection pursuit. Siam J Sci Comput. 1993;14:68–80.