메뉴 건너뛰기




Volumn 7, Issue JAN, 2019, Pages

e-Sweet: A machine-learning based platform for the prediction of sweetener and its relative sweetness

Author keywords

Machine learning method; QSAR; Relative sweetness prediction; Sweet taste; Sweetener prediction

Indexed keywords


EID: 85061184385     PISSN: None     EISSN: 22962646     Source Type: Journal    
DOI: 10.3389/fchem.2019.00035     Document Type: Article
Times cited : (36)

References (41)
  • 1
    • 85047078153 scopus 로고    scopus 로고
    • Identifying the interactions between natural, non-caloric sweeteners and the human sweet receptor by molecular docking
    • Acevedo, W., Ramírez-Sarmiento, C. A., and Agosin, E. (2018). Identifying the interactions between natural, non-caloric sweeteners and the human sweet receptor by molecular docking. Food Chem. 264, 164-171. doi: 10.1016/j.foodchem.2018.04.113
    • (2018) Food Chem , vol.264 , pp. 164-171
    • Acevedo, W.1    Ramírez-Sarmiento, C.A.2    Agosin, E.3
  • 3
    • 85047493474 scopus 로고    scopus 로고
    • BitterSweetForest: a random forest based binary classifier to predict bitterness and sweetness of chemical compounds
    • Banerjee, P., and Preissner, R. (2018). BitterSweetForest: a random forest based binary classifier to predict bitterness and sweetness of chemical compounds. Front. Chem. 6:93. doi: 10.3389/fchem.2018.00093
    • (2018) Front. Chem , vol.6 , pp. 93
    • Banerjee, P.1    Preissner, R.2
  • 4
    • 85020478864 scopus 로고    scopus 로고
    • Pred-Skin: a fast and reliable web application to assess skin sensitization effect of chemicals
    • Braga, R. C., Alves, V. M., Muratov, E. N., Strickland, J., Kleinstreuer, N., Trospsha, A., et al. (2017). Pred-Skin: a fast and reliable web application to assess skin sensitization effect of chemicals. J. Chem. Inf. Model. 57, 1013-1017. doi: 10.1021/acs.jcim.7b00194
    • (2017) J. Chem. Inf. Model , vol.57 , pp. 1013-1017
    • Braga, R.C.1    Alves, V.M.2    Muratov, E.N.3    Strickland, J.4    Kleinstreuer, N.5    Trospsha, A.6
  • 5
    • 79958270321 scopus 로고    scopus 로고
    • ADME evaluation in drug discovery 10. predictions of P-glycoprotein inhibitors using recursive partitioning and naive bayesian classification techniques
    • Chen, L., Li, Y., Zhao, Q., Peng, H., and Hou, T. (2011). ADME evaluation in drug discovery. 10. predictions of P-glycoprotein inhibitors using recursive partitioning and naive bayesian classification techniques. Mol. Pharm. 8, 889-900. doi: 10.1021/mp100465q
    • (2011) Mol. Pharm , vol.8 , pp. 889-900
    • Chen, L.1    Li, Y.2    Zhao, Q.3    Peng, H.4    Hou, T.5
  • 7
    • 0000568197 scopus 로고    scopus 로고
    • Quantitative structure-activity relationship studies of sulfamates RNHSO3Na: distinction between sweet, sweet-bitter, and bitter molecules
    • Drew, M. G. B., Wilden, G. R. H., Spillane, W. J., Walsh, R. M., Ryder, C. A., and Simmie, J. M. (1998). Quantitative structure-activity relationship studies of sulfamates RNHSO3Na: distinction between sweet, sweet-bitter, and bitter molecules. J. Agric. Food Chem. 46, 3016-3026. doi: 10.1021/jf980095c
    • (1998) J. Agric. Food Chem , vol.46 , pp. 3016-3026
    • Drew, M.G.B.1    Wilden, G.R.H.2    Spillane, W.J.3    Walsh, R.M.4    Ryder, C.A.5    Simmie, J.M.6
  • 8
    • 84963576856 scopus 로고    scopus 로고
    • Molecular mechanism of sweetness sensation
    • Dubois, G. E. (2016). Molecular mechanism of sweetness sensation. Physiol. Behav. 164, 453-463. doi: 10.1016/j.physbeh.2016.03.015
    • (2016) Physiol. Behav , vol.164 , pp. 453-463
    • Dubois, G.E.1
  • 9
    • 84862704637 scopus 로고    scopus 로고
    • Non-caloric sweeteners, sweetness modulators, and sweetener enhancers
    • Dubois, G. E., and Prakash, I. (2012). Non-caloric sweeteners, sweetness modulators, and sweetener enhancers. Annu. Rev. Food Sci. Technol. 3, 353-380. doi: 10.1146/annurev-food-022811-101236
    • (2012) Annu. Rev. Food Sci. Technol , vol.3 , pp. 353-380
    • Dubois, G.E.1    Prakash, I.2
  • 10
    • 78649621062 scopus 로고    scopus 로고
    • A predictive ligand-based bayesian model for human drug-induced liver injury
    • Ekins, S., Williams, A. J., and Xu, J. J. (2010). A predictive ligand-based bayesian model for human drug-induced liver injury. Drug Metab. Dispos. 38, 2302-2308. doi: 10.1124/dmd.110.035113
    • (2010) Drug Metab. Dispos , vol.38 , pp. 2302-2308
    • Ekins, S.1    Williams, A.J.2    Xu, J.J.3
  • 11
    • 84928503194 scopus 로고    scopus 로고
    • Non-nutritive sweeteners and obesity
    • Fernstrom, J. D. (2015). Non-nutritive sweeteners and obesity. Annu. Rev. Food Sci. Technol. 6, 119-136. doi: 10.1146/annurev-food-022814-015635
    • (2015) Annu. Rev. Food Sci. Technol , vol.6 , pp. 119-136
    • Fernstrom, J.D.1
  • 12
    • 85041512120 scopus 로고    scopus 로고
    • In-silico prediction of sweetness using structure-activity relationship models
    • Goel, A., Gajula, K., Gupta, R., and Rai, B. (2018). In-silico prediction of sweetness using structure-activity relationship models. Food Chem. 253, 127-131. doi: 10.1016/j.foodchem.2018.01.111
    • (2018) Food Chem , vol.253 , pp. 127-131
    • Goel, A.1    Gajula, K.2    Gupta, R.3    Rai, B.4
  • 13
    • 84861490431 scopus 로고    scopus 로고
    • Performance evaluation of 2D fingerprint and 3D shape similarity methods in virtual screening
    • Hu, G., Kuang, G., Xiao, W., Li, W., Liu, G., and Tang, Y. (2012). Performance evaluation of 2D fingerprint and 3D shape similarity methods in virtual screening. J. Chem. Inf. Model. 52, 1103-1113. doi: 10.1021/ci300030u
    • (2012) J. Chem. Inf. Model , vol.52 , pp. 1103-1113
    • Hu, G.1    Kuang, G.2    Xiao, W.3    Li, W.4    Liu, G.5    Tang, Y.6
  • 14
    • 0019481747 scopus 로고
    • Structure-sweetness relationship of L-aspartyl dipeptide analogs. A receptor site topology
    • Iwamura, H. (1981). Structure-sweetness relationship of L-aspartyl dipeptide analogs. A receptor site topology. J. Med. Chem. 24, 572-583. doi: 10.1021/jm00137a018
    • (1981) J. Med. Chem , vol.24 , pp. 572-583
    • Iwamura, H.1
  • 16
    • 17644389240 scopus 로고    scopus 로고
    • Lactisole interacts with the transmembrane domains of human T1R3 to inhibit sweet taste
    • Jiang, P., Cui, M., Zhao, B., Liu, Z., Snyder, L. A., Benard, L. M. J., et al. (2005). Lactisole interacts with the transmembrane domains of human T1R3 to inhibit sweet taste. J. Biol. Chem. 280, 15238-15246. doi: 10.1074/jbc.M414287200
    • (2005) J. Biol. Chem , vol.280 , pp. 15238-15246
    • Jiang, P.1    Cui, M.2    Zhao, B.3    Liu, Z.4    Snyder, L.A.5    Benard, L.M.J.6
  • 17
    • 85014624308 scopus 로고    scopus 로고
    • Activation mechanism of the G protein-coupled sweet receptor heterodimer with sweeteners and allosteric agonists
    • Kim, S. K., Chen, Y., Abrol, R., Goddard, W. A., and Guthrie, B. (2017). Activation mechanism of the G protein-coupled sweet receptor heterodimer with sweeteners and allosteric agonists. Proc. Natl. Acad. Sci. U.S.A. 114, 2568-2573. doi: 10.1073/pnas.1700001114
    • (2017) Proc. Natl. Acad. Sci. U.S.A , vol.114 , pp. 2568-2573
    • Kim, S.K.1    Chen, Y.2    Abrol, R.3    Goddard, W.A.4    Guthrie, B.5
  • 18
    • 0036664503 scopus 로고    scopus 로고
    • Discovery of terpenoid and phenolic sweeteners from plants
    • Kinghorn, A. D., and Soejarto, D. D. (2002). Discovery of terpenoid and phenolic sweeteners from plants. Pure Appl. Chem. 74, 1169-1179. doi: 10.1351/pac200274071169
    • (2002) Pure Appl. Chem , vol.74 , pp. 1169-1179
    • Kinghorn, A.D.1    Soejarto, D.D.2
  • 19
    • 85060335494 scopus 로고    scopus 로고
    • Predictive toxicology: modeling chemical induced toxicological response combining circular fingerprints with random forest and support vector machine
    • Koutsoukas, A., St. Amand, J., Mishra, M., and Huan, J. (2016). Predictive toxicology: modeling chemical induced toxicological response combining circular fingerprints with random forest and support vector machine. Front. Enrivon. Sci. 4:11. doi: 10.3389/fenvs.2016.00011
    • (2016) Front. Enrivon. Sci , vol.4 , pp. 11
    • Koutsoukas, A.1    Amand, J.2    Mishra, M.3    Huan, J.4
  • 20
    • 84902271945 scopus 로고    scopus 로고
    • Functional roles of the sweet taste receptor in oral and extraoral tissues
    • Laffitte, A., Neiers, F., and Briand, L. (2014). Functional roles of the sweet taste receptor in oral and extraoral tissues. Curr. Opin. Clin. Nutr. Metab. Care 17, 379-385. doi: 10.1097/mco.0000000000000058
    • (2014) Curr. Opin. Clin. Nutr. Metab. Care , vol.17 , pp. 379-385
    • Laffitte, A.1    Neiers, F.2    Briand, L.3
  • 21
    • 84908219488 scopus 로고
    • Statistical methods for assessing agreement between two methods of clinical measurement
    • Martin Bland, J., and Altman, D. (1986). Statistical methods for assessing agreement between two methods of clinical measurement. Lancet 327, 307-310. doi: 10.1016/S0140-6736(86)90837-8
    • (1986) Lancet , vol.327 , pp. 307-310
    • Martin Bland, J.1    Altman, D.2
  • 22
    • 84859986450 scopus 로고    scopus 로고
    • Characterization of the modes of binding between human sweet taste receptor and low-molecular-weight sweet compounds
    • Masuda, K., Koizumi, A., Nakajima, K. I., Tanaka, T., Abe, K., Misaka, T., et al. (2012). Characterization of the modes of binding between human sweet taste receptor and low-molecular-weight sweet compounds. PLoS ONE 7:e35380. doi: 10.1371/journal.pone.0035380
    • (2012) PLoS ONE , vol.7
    • Masuda, K.1    Koizumi, A.2    Nakajima, K.I.3    Tanaka, T.4    Abe, K.5    Misaka, T.6
  • 23
    • 48749100421 scopus 로고    scopus 로고
    • Sweet taste in man: a review
    • Meyers, B., and Brewer, M. S. (2008). Sweet taste in man: a review. J. Food Sci. 73, 81-90. doi: 10.1111/j.1750-3841.2008.00832.x
    • (2008) J. Food Sci , vol.73 , pp. 81-90
    • Meyers, B.1    Brewer, M.S.2
  • 24
    • 84949624213 scopus 로고    scopus 로고
    • Systematic review of the relationship between artificial sweetener consumption and cancer in humans: analysis of 599,741 participants
    • Mishra, A., Ahmed, K., Froghi, S., and Dasgupta, P. (2015). Systematic review of the relationship between artificial sweetener consumption and cancer in humans: analysis of 599,741 participants. Int. J. Clin. Pract. 69, 1418-1426. doi: 10.1111/ijcp.12703
    • (2015) Int. J. Clin. Pract , vol.69 , pp. 1418-1426
    • Mishra, A.1    Ahmed, K.2    Froghi, S.3    Dasgupta, P.4
  • 26
    • 85016450539 scopus 로고    scopus 로고
    • Development of a robust and validated 2D-QSPR model for sweetness potency of diverse functional organic molecules
    • Ojha, P. K., and Roy, K. (2017). Development of a robust and validated 2D-QSPR model for sweetness potency of diverse functional organic molecules. Food Chem. Toxicol. 112, 551-562. doi: 10.1016/j.fct.2017.03.043
    • (2017) Food Chem. Toxicol , vol.112 , pp. 551-562
    • Ojha, P.K.1    Roy, K.2
  • 27
    • 85032643408 scopus 로고    scopus 로고
    • Support vector machine classification and regression prioritize different structural features for binary compound activity and potency value prediction
    • Rodríguez-Pérez, R., Vogt, M., and Bajorath, J. (2017). Support vector machine classification and regression prioritize different structural features for binary compound activity and potency value prediction. ACS Omega 2, 6371-6379. doi: 10.1021/acsomega.7b01079
    • (2017) ACS Omega , vol.2 , pp. 6371-6379
    • Rodríguez-Pérez, R.1    Vogt, M.2    Bajorath, J.3
  • 28
    • 77952772341 scopus 로고    scopus 로고
    • Extended-connectivity fingerprints
    • Rogers, D., and Hahn, M. (2010). Extended-connectivity fingerprints. J. Chem. Inf. Model. 50, 742-754. doi: 10.1021/ci100050t
    • (2010) J. Chem. Inf. Model , vol.50 , pp. 742-754
    • Rogers, D.1    Hahn, M.2
  • 29
    • 84959324876 scopus 로고    scopus 로고
    • Quantitative structure-activity relationships to predict sweet and non-sweet tastes
    • Rojas, C., Ballabio, D., Consonni, V., Tripaldi, P., Mauri, A., and Todeschini, R. (2016a). Quantitative structure-activity relationships to predict sweet and non-sweet tastes. Theor. Chem. Acc. 135, 66-78. doi: 10.1007/s00214-016-1812-1
    • (2016) Theor. Chem. Acc , vol.135 , pp. 66-78
    • Rojas, C.1    Ballabio, D.2    Consonni, V.3    Tripaldi, P.4    Mauri, A.5    Todeschini, R.6
  • 30
    • 84959436461 scopus 로고    scopus 로고
    • 'Applications of quantitative structure-relative sweetness relationships in food chemistry,'
    • eds A. G. Mercader, P. R. Duchowicz, and P. M. Sivakumar (Toronto, ON: Apple Academic Press)
    • Rojas, C., Duchowicz, P., Diez, R., and Tripaldi, P. (2016b). "Applications of quantitative structure-relative sweetness relationships in food chemistry," in Chemometrics Applications and Research, eds A. G. Mercader, P. R. Duchowicz, and P. M. Sivakumar (Toronto, ON: Apple Academic Press), 317-339
    • (2016) Chemometrics Applications and Research , pp. 317-339
    • Rojas, C.1    Duchowicz, P.2    Diez, R.3    Tripaldi, P.4
  • 33
    • 85025067266 scopus 로고    scopus 로고
    • Taste buds: cells, signals and synapses
    • Roper, S. D., and Chaudhari, N. (2017). Taste buds: cells, signals and synapses. Nat. Rev. Neurosci. 18, 485-497. doi: 10.1038/nrn.2017.68
    • (2017) Nat. Rev. Neurosci , vol.18 , pp. 485-497
    • Roper, S.D.1    Chaudhari, N.2
  • 34
    • 84982924794 scopus 로고    scopus 로고
    • Human sweet taste receptor: complete structure prediction and evaluation
    • Shrivastav, A., and Srivastava, S. (2013). Human sweet taste receptor: complete structure prediction and evaluation. Int. J. Chem. Anal. Sci. 4, 24-32. doi: 10.1016/j.ijcas.2013.03.002
    • (2013) Int. J. Chem. Anal. Sci , vol.4 , pp. 24-32
    • Shrivastav, A.1    Srivastava, S.2
  • 35
    • 77956964002 scopus 로고    scopus 로고
    • Best practices for QSAR model development, validation, and exploitation
    • Tropsha, A. (2010). Best practices for QSAR model development, validation, and exploitation. Mol. Inform. 29, 476-488. doi: 10.1002/minf.201000061
    • (2010) Mol. Inform , vol.29 , pp. 476-488
    • Tropsha, A.1
  • 36
    • 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., Tawari, N. R., and Degani, M. S. (2007). Quantitative structure-activity relationship study of some aspartic acid analogues to correlate and predict their sweetness potency. QSAR Comb. Sci. 26, 204-214. doi: 10.1002/qsar.200530191
    • (2007) QSAR Comb. Sci , vol.26 , pp. 204-214
    • Vepuri, S.B.1    Tawari, N.R.2    Degani, M.S.3
  • 37
    • 79953005609 scopus 로고    scopus 로고
    • PaDEL-descriptor: an open source software to calculate molecular descriptors and fingerprints
    • Wei, Y. C. (2011). PaDEL-descriptor: an open source software to calculate molecular descriptors and fingerprints. J Comput. Chem. 32, 1466-1474. doi: 10.1002/jcc.21707
    • (2011) J Comput. Chem , vol.32 , pp. 1466-1474
    • Wei, Y.C.1
  • 38
    • 84856499826 scopus 로고    scopus 로고
    • BitterDB: a database of bitter compounds
    • Wiener, A., Shudler, M., Levit, A., and Niv, M. Y. (2012). BitterDB: a database of bitter compounds. Nucleic Acids Res. 40, 413-419. doi: 10.1093/nar/gkr755
    • (2012) Nucleic Acids Res , vol.40 , pp. 413-419
    • Wiener, A.1    Shudler, M.2    Levit, A.3    Niv, M.Y.4
  • 39
    • 79955635230 scopus 로고    scopus 로고
    • In-silico prediction of sweetness of sugars and sweeteners
    • Yang, X., Chong, Y., Yan, A., and Chen, J. (2011). In-silico prediction of sweetness of sugars and sweeteners. Food Chem. 128, 653-658. doi: 10.1016/j.foodchem.2011.03.081
    • (2011) Food Chem , vol.128 , pp. 653-658
    • Yang, X.1    Chong, Y.2    Yan, A.3    Chen, J.4
  • 40
    • 85047466572 scopus 로고    scopus 로고
    • e-Bitter: bitterant prediction by the consensus voting from the machine-learning methods
    • Zheng, S., Jiang, M., Zhao, C., Zhu, R., Hu, Z., Xu, Y., et al. (2018). e-Bitter: bitterant prediction by the consensus voting from the machine-learning methods. Front. Chem. 6:82. doi: 10.3389/fchem.2018.00082
    • (2018) Front. Chem , vol.6 , pp. 82
    • Zheng, S.1    Jiang, M.2    Zhao, C.3    Zhu, R.4    Hu, Z.5    Xu, Y.6
  • 41
    • 84883828968 scopus 로고    scopus 로고
    • Prediction of sweetness by multilinear regression analysis and support vector machine
    • Zhong, M., Chong, Y., Nie, X., Yan, A., and Yuan, Q. (2013). Prediction of sweetness by multilinear regression analysis and support vector machine. J. Food Sci. 78, 1445-1450. doi: 10.1111/1750-3841.12199
    • (2013) J. Food Sci , vol.78 , pp. 1445-1450
    • Zhong, M.1    Chong, Y.2    Nie, X.3    Yan, A.4    Yuan, Q.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.