메뉴 건너뛰기




Volumn , Issue , 2016, Pages 317-340

Applications of quantitative structure-relative sweetness relationships in food chemistry

Author keywords

Molecular descriptors; QSAR QSPR theory; Relative sweetness; Sucrose; Sweeteners

Indexed keywords


EID: 84959436461     PISSN: None     EISSN: None     Source Type: Book    
DOI: None     Document Type: Chapter
Times cited : (7)

References (96)
  • 5
    • 84893455361 scopus 로고    scopus 로고
    • Rating of sweetness by molar refractivity and ioniza-tion potential: QSAR study of sucrose and guanidine derivatives.
    • South African Journal of Chemistry
    • Singh, R.K., M.A. Khan, and P.P. Singh, Rating of sweetness by molar refractivity and ioniza-tion potential: QSAR study of sucrose and guanidine derivatives. South African Journal of Chemistry, 2014. 67: p. 12-20.
    • (2014) , vol.67 , pp. 12-20
    • Singh, R.K.1    Khan, M.A.2    Singh, P.P.3
  • 6
    • 0034993412 scopus 로고    scopus 로고
    • Quantitative structure-activity relationships of sweet isovanillyl deriva-tives.
    • Bassoli, A., et al., Quantitative structure-activity relationships of sweet isovanillyl deriva-tives. Quantitative Structure-Activity Relationships, 2001. 20(1): p. 3-16.
    • (2001) Quantitative Structure-Activity Relationships , vol.20 , Issue.1 , pp. 3-16
    • Bassoli, A.1
  • 7
    • 0037007027 scopus 로고    scopus 로고
    • Human receptors for sweet and umami taste.
    • Li, X., et al., Human receptors for sweet and umami taste. Proceedings of the National Acad-emy of Sciences, 2002. 99(7): p. 4692-4696.
    • (2002) Proceedings of the National Acad-emy of Sciences , vol.99 , Issue.7 , pp. 4692-4696
    • Li, X.1
  • 8
    • 0030194456 scopus 로고    scopus 로고
    • Taste reception.
    • Lindemann, B., Taste reception. Physiological Reviews, 1996. 76(3): p. 719-766.
    • (1996) Physiological Reviews , vol.76 , Issue.3 , pp. 719-766
    • Lindemann, B.1
  • 9
    • 0035855939 scopus 로고    scopus 로고
    • Receptors and transduction in taste.
    • Lindemann, B., Receptors and transduction in taste. Nature, 2001. 413(6852): p. 219-225.
    • (2001) Nature , vol.413 , Issue.6852 , pp. 219-225
    • Lindemann, B.1
  • 10
    • 0037016771 scopus 로고    scopus 로고
    • Molecular mechanisms of bitter and sweet taste transduction.
    • Margolskee, R.F., Molecular mechanisms of bitter and sweet taste transduction. Journal of Biological Chemistry, 2002. 277(1): p. 1-4.
    • (2002) Journal of Biological Chemistry , vol.277 , Issue.1 , pp. 1-4
    • Margolskee, R.F.1
  • 11
    • 27644568166 scopus 로고    scopus 로고
    • Distinct contributions of T1R2 and T1R3 taste receptor subunits to the detec-tion of sweet stimuli.
    • Nie, Y., et al., Distinct contributions of T1R2 and T1R3 taste receptor subunits to the detec-tion of sweet stimuli. Current Biology, 2005. 15(21): p. 1948-1952.
    • (2005) Current Biology , vol.15 , Issue.21 , pp. 1948-1952
    • Nie, Y.1
  • 12
    • 0035023861 scopus 로고    scopus 로고
    • Identification of a novel member of the T1R family of putative taste receptors.
    • Sainz, E., et al., Identification of a novel member of the T1R family of putative taste receptors. Journal of Neurochemistry, 2001. 77(3): p. 896-903.
    • (2001) Journal of Neurochemistry , vol.77 , Issue.3 , pp. 896-903
    • Sainz, E.1
  • 13
    • 0344823647 scopus 로고    scopus 로고
    • The receptors for mammalian sweet and umami taste.
    • Zhao, G.Q., et al., The receptors for mammalian sweet and umami taste. Cell, 2003. 115(3): p. 255-266.
    • (2003) Cell , vol.115 , Issue.3 , pp. 255-266
    • Zhao, G.Q.1
  • 14
    • 79955635230 scopus 로고    scopus 로고
    • In-silico prediction of sweetness of sugars and sweeteners.
    • Yang, X., et al., In-silico prediction of sweetness of sugars and sweeteners. Food Chemistry, 2011. 128(3): p. 653-658.
    • (2011) Food Chemistry , vol.128 , Issue.3 , pp. 653-658
    • Yang, X.1
  • 15
    • 84883828968 scopus 로고    scopus 로고
    • Prediction of sweetness by multilinear regression analysis and support vec-tor machine.
    • Zhong, M., et al., Prediction of sweetness by multilinear regression analysis and support vec-tor machine. Journal of Food Science, 2013. 78(9): p. S1445-S1450.
    • (2013) Journal of Food Science , vol.78 , Issue.9 , pp. S1445-S1450
    • Zhong, M.1
  • 16
    • 0642294265 scopus 로고
    • A new theory relating constitution to taste. Simple relations be-tween the constitution of aliphatic compounds and their sweet taste.
    • Oertly, E. and R.G. Myers, A new theory relating constitution to taste. Simple relations be-tween the constitution of aliphatic compounds and their sweet taste. Journal of the American Chemical Society, 1919. 41(6): p. 855-867.
    • (1919) Journal of the American Chemical Society , vol.41 , Issue.6 , pp. 855-867
    • Oertly, E.1    Myers, R.G.2
  • 17
    • 0014192965 scopus 로고
    • Molecular theory of sweet taste.
    • Shallenberger, R.S. and T.E. Acree, Molecular theory of sweet taste. Nature, 1967. 216: p. 480-482.
    • (1967) Nature , vol.216 , pp. 480-482
    • Shallenberger, R.S.1    Acree, T.E.2
  • 18
    • 0015403701 scopus 로고
    • A molecular theory of sweet taste.
    • Kier, L.B., A molecular theory of sweet taste. Journal of Pharmaceutical Sciences, 1972. 61(9): p. 1394-1397.
    • (1972) Journal of Pharmaceutical Sciences , vol.61 , Issue.9 , pp. 1394-1397
    • Kier, L.B.1
  • 20
    • 0029990789 scopus 로고    scopus 로고
    • Sweetness reception in man: the multipoint attachment theory.
    • Nofre, C. and J.-M. Tinti, Sweetness reception in man: the multipoint attachment theory. Food Chemistry, 1996. 56(3): p. 263-274.
    • (1996) Food Chemistry , vol.56 , Issue.3 , pp. 263-274
    • Nofre, C.1    Tinti, J.-M.2
  • 22
    • 0030445358 scopus 로고    scopus 로고
    • Evolution of the sweetness receptor in primates. II. Gusta-tory responses of non-human primates to nine compounds known to be sweet in man.
    • Nofre, C., J.M. Tinti, and D. Glaser, Evolution of the sweetness receptor in primates. II. Gusta-tory responses of non-human primates to nine compounds known to be sweet in man. Chemi-cal senses, 1996. 21(6): p. 747-762.
    • (1996) Chemi-cal senses , vol.21 , Issue.6 , pp. 747-762
    • Nofre, C.1    Tinti, J.M.2    Glaser, D.3
  • 23
    • 36949050384 scopus 로고
    • Dependence of relative sweetness on hydrophobic bonding.
    • Deutsch, E.W. and C. Hansch, Dependence of relative sweetness on hydrophobic bonding. Nature, 1966. 211: p. 75.
    • (1966) Nature , vol.211 , pp. 75
    • Deutsch, E.W.1    Hansch, C.2
  • 24
    • 37049084645 scopus 로고
    • Isovanillyl sweeteners. Synthesis, conformational analysis, and structure-activity relationship of some sweet oxygen heterocycles.
    • Arnoldi, A., et al., Isovanillyl sweeteners. Synthesis, conformational analysis, and structure-activity relationship of some sweet oxygen heterocycles. Journal of the Chemical Society, Per-kin Transactions 2, 1991. (9): p. 1399-1406.
    • (1991) Journal of the Chemical Society, Per-kin Transactions , vol.2 , Issue.9 , pp. 1399-1406
    • Arnoldi, A.1
  • 26
    • 0037179658 scopus 로고    scopus 로고
    • General pseudoreceptor model for sweet compounds: a semiquantitative prediction of binding affinity for sweet-tasting molecules.
    • Bassoli, A., et al., General pseudoreceptor model for sweet compounds: a semiquantitative prediction of binding affinity for sweet-tasting molecules. Journal of Medicinal Chemistry, 2002. 45(20): p. 4402-4409.
    • (2002) Journal of Medicinal Chemistry , vol.45 , Issue.20 , pp. 4402-4409
    • Bassoli, A.1
  • 27
    • 0000568197 scopus 로고    scopus 로고
    • Quantitative structure-activity relationship studies of sulfamates RNH-SO3Na: distinction between sweet, sweet-bitter, and bitter molecules.
    • Drew, M.G.B., et al., Quantitative structure-activity relationship studies of sulfamates RNH-SO3Na: distinction between sweet, sweet-bitter, and bitter molecules. Journal of Agricultural and Food Chemistry, 1998. 46(8): p. 3016-3026.
    • (1998) Journal of Agricultural and Food Chemistry , vol.46 , Issue.8 , pp. 3016-3026
    • Drew, M.G.B.1
  • 28
    • 0014851619 scopus 로고
    • Use of s+ in structure-activity correlations.
    • Hansch, C., Use of s+ in structure-activity correlations. Journal of Medicinal Chemistry, 1970. 13(5): p. 964-966.
    • (1970) Journal of Medicinal Chemistry , vol.13 , Issue.5 , pp. 964-966
    • Hansch, C.1
  • 29
    • 0018832333 scopus 로고
    • Structure-taste relationship of perillartine and nitro-and cyanoaniline deriva-tives.
    • Iwamura, H., Structure-taste relationship of perillartine and nitro-and cyanoaniline deriva-tives. Journal of Medicinal Chemistry, 1980. 23(3): p. 308-312.
    • (1980) Journal of Medicinal Chemistry , vol.23 , Issue.3 , pp. 308-312
    • Iwamura, H.1
  • 30
    • 0019481747 scopus 로고
    • Structure-sweetness relationship of L-aspartyl dipeptide analogs. A receptor site topology.
    • Iwamura, H., Structure-sweetness relationship of L-aspartyl dipeptide analogs. A receptor site topology. Journal of Medicinal Chemistry, 1981. 24(5): p. 572-583.
    • (1981) Journal of Medicinal Chemistry , vol.24 , Issue.5 , pp. 572-583
    • Iwamura, H.1
  • 31
    • 0042872967 scopus 로고    scopus 로고
    • A QSPR study of sweetness potency using the CODESSA program.
    • Katritzky, A.R., et al., A QSPR study of sweetness potency using the CODESSA program. Croatica Chemica Acta, 2002. 75(2): p. 475-502.
    • (2002) Croatica Chemica Acta , vol.75 , Issue.2 , pp. 475-502
    • Katritzky, A.R.1
  • 32
    • 0035539260 scopus 로고    scopus 로고
    • QSAR computational model of Nofre-Tinti theory on sweetness of mono- and disaccharides composed by pyranose units.
    • Pietrzycki, W., QSAR computational model of Nofre-Tinti theory on sweetness of mono- and disaccharides composed by pyranose units. Polish Journal of Chemistry, 2001. 75(10): p. 1569-1582.
    • (2001) Polish Journal of Chemistry , vol.75 , Issue.10 , pp. 1569-1582
    • Pietrzycki, W.1
  • 33
    • 85031256879 scopus 로고
    • Quantitative correlation between steric factors and the relative sweet-ness of 2-substituted 5-nitroanilines.
    • Rao, M. and N. Kumar, Quantitative correlation between steric factors and the relative sweet-ness of 2-substituted 5-nitroanilines. Indian Drugs, 1986. 23: p. 35-38.
    • (1986) Indian Drugs , vol.23 , pp. 35-38
    • Rao, M.1    Kumar, N.2
  • 34
    • 84903811996 scopus 로고
    • Quantitative structure-taste relationship studies of sulphamate sweeteners.
    • Spillane, W.J., Quantitative structure-taste relationship studies of sulphamate sweeteners. Chemistry and Industry 1983. p. 16-19.
    • (1983) Chemistry and Industry , pp. 16-19
    • Spillane, W.J.1
  • 35
    • 0019445228 scopus 로고
    • Structure-activity studies on sulfamate sweeteners II: Semiquantitative structure-taste relationship for sulfamate (RNHSO-3) sweeteners-the role of R
    • Spillane, W.J. and G. McGlinchey, Structure-activity studies on sulfamate sweeteners II: Semiquantitative structure-taste relationship for sulfamate (RNHSO-3) sweeteners-the role of R. Journal of Pharmaceutical Sciences, 1981. 70(8): p. 933-935.
    • (1981) Journal of Pharmaceutical Sciences , vol.70 , Issue.8 , pp. 933-935
    • Spillane, W.J.1    McGlinchey, G.2
  • 36
    • 0020552898 scopus 로고
    • Structure-activity studies on sulfamate sweetners III: Structure-taste relationships for heterosulfamates.
    • Spillane, W.J., et al., Structure-activity studies on sulfamate sweetners III: Structure-taste relationships for heterosulfamates. Journal of Pharmaceutical Sciences, 1983. 72(8): p. 852-856.
    • (1983) Journal of Pharmaceutical Sciences , vol.72 , Issue.8 , pp. 852-856
    • Spillane, W.J.1
  • 37
    • 0034236736 scopus 로고    scopus 로고
    • Development of structure-taste relationships for sweet and non-sweet heterosulfamates.
    • Spillane, W.J., et al., Development of structure-taste relationships for sweet and non-sweet heterosulfamates. Journal of the Chemical Society, Perkin Transactions 2, 2000. (7): p. 1369-1374.
    • (2000) Journal of the Chemical Society, Perkin Transactions , vol.2 , Issue.7 , pp. 1369-1374
    • Spillane, W.J.1
  • 38
    • 0029950080 scopus 로고    scopus 로고
    • Sulfamate sweeteners.
    • Spillane, W.J., et al., Sulfamate sweeteners. Food Chemistry, 1996. 56(3): p. 255-261.
    • (1996) Food Chemistry , vol.56 , Issue.3 , pp. 255-261
    • Spillane, W.J.1
  • 39
    • 37049090549 scopus 로고
    • Semi-quantitative and quantitative structure-taste relation-ships for carboand hetero-sulphamate (RNHSO3-) sweeteners.
    • Spillane, W.J. and M.B. Sheahan, Semi-quantitative and quantitative structure-taste relation-ships for carboand hetero-sulphamate (RNHSO3-) sweeteners. Journal of Chemical Society, Perkin Transactions. 2, 1989. (7): p. 741-746.
    • (1989) Journal of Chemical Society, Perkin Transactions , vol.2 , Issue.7 , pp. 741-746
    • Spillane, W.J.1    Sheahan, M.B.2
  • 40
    • 0018713738 scopus 로고
    • Quantitative structure-activity relation-ships (QSAR) in sweet aspartyl dipeptide methyl esters.
    • van der Heijden, A., L.B.P. Brussel, and H.G. Peer, Quantitative structure-activity relation-ships (QSAR) in sweet aspartyl dipeptide methyl esters. Chemical Senses, 1979. 4: p. 141-152.
    • (1979) Chemical Senses , vol.4 , pp. 141-152
    • van der Heijden, A.1    Brussel, L.B.P.2    Peer, H.G.3
  • 41
    • 85052284996 scopus 로고    scopus 로고
    • Genetically Evolved Receptor Models (GERM) as a 3D QSAR tool
    • H. Kubinyi, G. Folkers, and Y.C. Martin, Editors, Kluwer Academic Publishers
    • Walters, D.E., Genetically Evolved Receptor Models (GERM) as a 3D QSAR tool, in 3D QSAR in drug design. Recent Advances. H. Kubinyi, G. Folkers, and Y.C. Martin, Editors. 2002. Kluwer Academic Publishers. p. 159-166.
    • (2002) 3D QSAR in drug design. Recent Advances. , pp. 159-166
    • Walters, D.E.1
  • 42
    • 0028030875 scopus 로고
    • Genetically evolved receptor models: A computational ap-proach to construction of receptor models.
    • Walters, D.E. and R.M. Hinds, Genetically evolved receptor models: A computational ap-proach to construction of receptor models. Journal of Medicinal Chemistry, 1994. 37(16): p. 2527-2536.
    • (1994) Journal of Medicinal Chemistry , vol.37 , Issue.16 , pp. 2527-2536
    • Walters, D.E.1    Hinds, R.M.2
  • 43
    • 84903813666 scopus 로고    scopus 로고
    • Analysing and predicting properties of sweet-tasting compounds
    • W.J. Spillane, Editor
    • Walters, D.E., Analysing and predicting properties of sweet-tasting compounds, in Optimising Sweet Taste in Foods. W.J. Spillane, Editor. 2006. p. 283-291.
    • (2006) Optimising Sweet Taste in Foods. , pp. 283-291
    • Walters, D.E.1
  • 48
    • 84886035212 scopus 로고    scopus 로고
    • Partial-order ranking and linear modeling: their use in predictive QSAR/QSPR studies
    • M. Dehmer, K. Varmuza, and D. Bonchev, Editors, Wiley-VCH
    • Mercader, A.G. and E.A. Castro, Partial-order ranking and linear modeling: their use in predictive QSAR/QSPR studies, in Statistical Modelling of Molecular Descriptors in QSAR/QSPR. M. Dehmer, K. Varmuza, and D. Bonchev, Editors. 2012. Wiley-VCH. p. 149-174.
    • (2012) Statistical Modelling of Molecular Descriptors in QSAR/QSPR. , pp. 149-174
    • Mercader, A.G.1    Castro, E.A.2
  • 50
    • 0001321370 scopus 로고
    • QSPR: the correlation and quantitative predic-tion of chemical and physical properties from structure.
    • Katritzky, A.R., Lobanov, V. S., Karelson, M., QSPR: the correlation and quantitative predic-tion of chemical and physical properties from structure. Chemical Society Reviews, 1995. 24: p. 279-287.
    • (1995) Chemical Society Reviews , vol.24 , pp. 279-287
    • Katritzky, A.R.1    Lobanov, V.S.2    Karelson, M.3
  • 53
    • 71649091399 scopus 로고    scopus 로고
    • Köln-Timişoara Molecular Activity Combined Models toward Inter-species Toxicity Assessment.
    • Chicu, S.A., Putz, M. V., Köln-Timişoara Molecular Activity Combined Models toward Inter-species Toxicity Assessment. International Journal of Molecular Science, 2009. 10: p. 4474-4497.
    • (2009) International Journal of Molecular Science , vol.10 , pp. 4474-4497
    • Chicu, S.A.1    Putz, M.V.2
  • 57
    • 34548452083 scopus 로고    scopus 로고
    • A spectral-SAR model for the anionic-cationic in-teraction in ionic liquids: application to Vibrio fischeri ecotoxicity.
    • Lacrămă, A.M., Putz, M. V., Ostafe, V., A spectral-SAR model for the anionic-cationic in-teraction in ionic liquids: application to Vibrio fischeri ecotoxicity. International Journal of Molecular Science, 2007. 8: p. 842-863.
    • (2007) International Journal of Molecular Science , vol.8 , pp. 842-863
    • Lacrămă, A.M.1    Putz, M.V.2    Ostafe, V.3
  • 58
    • 63449139846 scopus 로고    scopus 로고
    • Quantum-SAR extension of the spectral-SAR algorithm. Application to polyphenolic anticancer bioactivity
    • Putz, M.V., Putz, A. M., Lazea, M., Lenciu, L., Chiriac, A., Quantum-SAR extension of the spectral-SAR algorithm. Application to polyphenolic anticancer bioactivity, International Journal of Molecular Science, 2009. 10: p. 1193-1214.
    • (2009) International Journal of Molecular Science , vol.10 , pp. 1193-1214
    • Putz, M.V.1    Putz, A.M.2    Lazea, M.3    Lenciu, L.4    Chiriac, A.5
  • 60
    • 79958273248 scopus 로고    scopus 로고
    • Residual-QSAR. Implications for genotoxic carcinogenesis.
    • Putz, M.V., Residual-QSAR. Implications for genotoxic carcinogenesis. Chemistry Central Journal, 2011. 5: p. doi: 10.1186/1752-153X-5-29.
    • (2011) Chemistry Central Journal , vol.5
    • Putz, M.V.1
  • 61
    • 84886073897 scopus 로고    scopus 로고
    • Multivariate analysis of molecular descriptors
    • M. Dehmer, K. Varmuza, and D. Bon-chev, Editors, Wiley-VCH
    • Consonni, V. and R. Todeschini, Multivariate analysis of molecular descriptors, in Statistical Modelling of Molecular Descriptors in QSAR/QSPR. M. Dehmer, K. Varmuza, and D. Bon-chev, Editors. 2012. Wiley-VCH. p. 111-147.
    • (2012) Statistical Modelling of Molecular Descriptors in QSAR/QSPR. , pp. 111-147
    • Consonni, V.1    Todeschini, R.2
  • 62
    • 24344487097 scopus 로고    scopus 로고
    • Development of structure-taste relationships for monosubstituted phenylsulfamate sweeteners using Classification and Regression Tree (CART) analysis.
    • Kelly, D.P., W.J. Spillane, and J. Newell, Development of structure-taste relationships for monosubstituted phenylsulfamate sweeteners using Classification and Regression Tree (CART) analysis. Journal of Agricultural and Food Chemistry, 2005. 53(17): p. 6750-6758.
    • (2005) Journal of Agricultural and Food Chemistry , vol.53 , Issue.17 , pp. 6750-6758
    • Kelly, D.P.1    Spillane, W.J.2    Newell, J.3
  • 63
    • 85052291922 scopus 로고    scopus 로고
    • Wavefunction, Inc.
    • PC Spartan Pro '14. 1999. Wavefunction, Inc., http://www.wavefun.com/.
    • (1999) PC Spartan Pro '14.
  • 64
    • 85052313386 scopus 로고    scopus 로고
    • Solution Metrics, Inc.
    • S-Plus 8.2 for Windows. 2010. Solution Metrics, Inc., http://www.solutionmetrics.com.au/.
    • (2010) S-Plus 8.2 for Windows.
  • 66
    • 85052339558 scopus 로고    scopus 로고
    • Serena Software, Inc.
    • PCMODEL. 2014. Serena Software, Inc., http://www.serenasoft.com/.
    • (2014) PCMODEL.
  • 67
    • 0003603789 scopus 로고    scopus 로고
    • Stewart Computational Chemistry, Inc
    • MOPAC (Molecular Orbital PACkage) 2012. Stewart Computational Chemistry, Inc., http://openmopac.net/.
    • (2012) MOPAC (Molecular Orbital PACkage)
  • 70
    • 33748425882 scopus 로고    scopus 로고
    • Structure-taste relationships for disubstituted phenylsulfamate tastants using Classification and Regression Tree (CART) analysis.
    • Spillane, W.J., et al., Structure-taste relationships for disubstituted phenylsulfamate tastants using Classification and Regression Tree (CART) analysis. Journal of Agricultural and Food Chemistry, 2006. 54(16): p. 5996-6004.
    • (2006) Journal of Agricultural and Food Chemistry , vol.54 , Issue.16 , pp. 5996-6004
    • Spillane, W.J.1
  • 71
    • 85052320198 scopus 로고    scopus 로고
    • Quantitative evaluation of sorbitol with other alcoholic sweeteners trough QSAR studies.
    • Birta, N. and N. Doca, Quantitative evaluation of sorbitol with other alcoholic sweeteners trough QSAR studies. Annals of West University of Timisoara. Series Chemistry, 2007. 16(1): p. 91-96.
    • (2007) Annals of West University of Timisoara. Series Chemistry , vol.16 , Issue.1 , pp. 91-96
    • Birta, N.1    Doca, N.2
  • 72
    • 85052304848 scopus 로고    scopus 로고
    • Perkin Elmer
    • ChemOffice Ultra 2000. 2001. Perkin Elmer, http://www.cambridgesoft.com/.
    • (2001) ChemOffice Ultra 2000.
  • 74
    • 85052284394 scopus 로고    scopus 로고
    • 2014. WebMO, LLC, Inc.
    • WebMO Pro. 2014. WebMO, LLC, Inc., http://www.webmo.net/.
    • WebMO Pro.
  • 75
    • 70450206724 scopus 로고    scopus 로고
    • Gaussian, Inc.
    • Gaussian 09. 2009. Gaussian, Inc., http://www.gaussian.com/.
    • (2009) Gaussian 09.
  • 76
    • 34250612258 scopus 로고    scopus 로고
    • Quantitative structure-activity relationship study of some aspartic acid analogues to correlate and predict their sweetness potency.
    • Vepuri, S.B., N.R. Tawari, and M.S. Degani, Quantitative structure-activity relationship study of some aspartic acid analogues to correlate and predict their sweetness potency. QSAR & Combinatorial Science, 2007. 26(2): p. 204-214.
    • (2007) QSAR & Combinatorial Science , vol.26 , Issue.2 , pp. 204-214
    • Vepuri, S.B.1    Tawari, N.R.2    Degani, M.S.3
  • 77
    • 85052311127 scopus 로고    scopus 로고
    • Laboratory for molecular simulation, Inc.
    • Cerius2. 1997. Laboratory for molecular simulation, Inc., http://lms.chem.tamu.edu/.
    • (1997) Cerius2.
  • 78
    • 67649197565 scopus 로고    scopus 로고
    • Development of structure-taste relationships for thiazolyl-, benzothiazo-lyl-, and thiadiazolylsulfamates.
    • Spillane, W.J., et al., Development of structure-taste relationships for thiazolyl-, benzothiazo-lyl-, and thiadiazolylsulfamates. Journal of Agricultural and Food Chemistry, 2009. 57(12): p. 5486-5493.
    • (2009) Journal of Agricultural and Food Chemistry , vol.57 , Issue.12 , pp. 5486-5493
    • Spillane, W.J.1
  • 79
    • 79959739202 scopus 로고    scopus 로고
    • Hypercube, Inc.
    • HyperChem. 2008. Hypercube, Inc., http://www.hyper.com.
    • (2008) HyperChem.
  • 80
    • 84992104783 scopus 로고    scopus 로고
    • Minitab, Inc.
    • Minitab 17. 2010. Minitab, Inc., www.minitab.com.
    • (2010) Minitab 17.
  • 81
    • 85052326447 scopus 로고    scopus 로고
    • MDL Information Systems, Inc
    • MDL ISIS DRAW/BASE. 2005. MDL Information Systems, Inc.
    • (2005) MDL ISIS DRAW/BASE.
  • 84
    • 1842639233 scopus 로고    scopus 로고
    • Mining high-throughput screening data of combi-natorial libraries: development of a filter to distinguish hits from nonhits.
    • Teckentrup, A., H. Briem, and J. Gasteiger, Mining high-throughput screening data of combi-natorial libraries: development of a filter to distinguish hits from nonhits. Journal of chemical information and computer sciences, 2004. 44(2): p. 626-634.
    • (2004) Journal of chemical information and computer sciences , vol.44 , Issue.2 , pp. 626-634
    • Teckentrup, A.1    Briem, H.2    Gasteiger, J.3
  • 85
    • 0028851251 scopus 로고
    • Autocorrelation of molecular surface properties for modeling corticosteroid binding globulin and cytosolic Ah receptor activity by neural net-works.
    • Wagener, M., J. Sadowski, and J. Gasteiger, Autocorrelation of molecular surface properties for modeling corticosteroid binding globulin and cytosolic Ah receptor activity by neural net-works. Journal of the American Chemical Society, 1995. 117(29): p. 7769-7775.
    • (1995) Journal of the American Chemical Society , vol.117 , Issue.29 , pp. 7769-7775
    • Wagener, M.1    Sadowski, J.2    Gasteiger, J.3
  • 87
    • 27344459398 scopus 로고    scopus 로고
    • Virtual Computational Chemistry Laboratory - Design and Description.
    • Tetko, I., et al., Virtual Computational Chemistry Laboratory - Design and Description. Jour-nal of Computer-Aided Molecular Design, 2005. 19(6): p. 453-463.
    • (2005) Jour-nal of Computer-Aided Molecular Design , vol.19 , Issue.6 , pp. 453-463
    • Tetko, I.1
  • 89
  • 90
    • 84872600326 scopus 로고    scopus 로고
    • aug-MIA-QSPR on the modeling of sweetness values of disac-charide derivatives.
    • Nunes, C.A. and M.P. Freitas, aug-MIA-QSPR on the modeling of sweetness values of disac-charide derivatives. LWT - Food Science and Technology, 2013. 51(2): p. 405-408.
    • (2013) LWT - Food Science and Technology , vol.51 , Issue.2 , pp. 405-408
    • Nunes, C.A.1    Freitas, M.P.2
  • 91
    • 84892744565 scopus 로고    scopus 로고
    • ACD Labs, Inc.
    • ChemSketch. 2013, ACD Labs, Inc., http://www.acdlabs.com/.
    • (2013) ChemSketch.
  • 92
    • 84894887900 scopus 로고
    • Computer aided design of experiments.
    • Kennard, R.W. and L.A. Stone, Computer aided design of experiments. Technometrics, 1969. 11(1): p. 137-148.
    • (1969) Technometrics , vol.11 , Issue.1 , pp. 137-148
    • Kennard, R.W.1    Stone, L.A.2
  • 93
    • 84874071440 scopus 로고    scopus 로고
    • Chemoface: a novel free user-friendly interface for chemometrics.
    • Nunes, C.A., et al., Chemoface: a novel free user-friendly interface for chemometrics. Journal of the Brazilian Chemical Society, 2012. 23(11): p. 2003-2010.
    • (2012) Journal of the Brazilian Chemical Society , vol.23 , Issue.11 , pp. 2003-2010
    • Nunes, C.A.1
  • 94
    • 84883786507 scopus 로고    scopus 로고
    • aug-MIA-QSPR study of guanidine derivative sweeteners.
    • Nunes, C.A. and M.P. Freitas, aug-MIA-QSPR study of guanidine derivative sweeteners. Eu-ropean Food Research and Technology, 2013. 237(4): p. 565-570.
    • (2013) Eu-ropean Food Research and Technology , vol.237 , Issue.4 , pp. 565-570
    • Nunes, C.A.1    Freitas, M.P.2
  • 95
    • 78649543896 scopus 로고    scopus 로고
    • Exploring quantitative structure-activity relationship studies of antioxidant phenolic compounds obtained from traditional Chinese medicinal plants.
    • Mitra, I., A. Saha, and K. Roy, Exploring quantitative structure-activity relationship studies of antioxidant phenolic compounds obtained from traditional Chinese medicinal plants. Molecu-lar Simulation, 2010. 36(13): p. 1067-1079.
    • (2010) Molecu-lar Simulation , vol.36 , Issue.13 , pp. 1067-1079
    • Mitra, I.1    Saha, A.2    Roy, K.3
  • 96
    • 84911792416 scopus 로고
    • Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships III: Modeling hy-drophobic interactions.
    • Ghose, A.K., A. Pritchett, and G.M. Crippen, Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships III: Modeling hy-drophobic interactions. Journal of Computational Chemistry, 1988. 9(1): p. 80-90.
    • (1988) Journal of Computational Chemistry , vol.9 , Issue.1 , pp. 80-90
    • Ghose, A.K.1    Pritchett, A.2    Crippen, G.M.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.