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Volumn 9, Issue 1, 2019, Pages

BitterSweet: Building machine learning models for predicting the bitter and sweet taste of small molecules

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; BITTER TASTE; HUMAN; MACHINE LEARNING; PREDICTION; SOFTWARE; SWEETNESS;

EID: 85065466182     PISSN: None     EISSN: 20452322     Source Type: Journal    
DOI: 10.1038/s41598-019-43664-y     Document Type: Article
Times cited : (54)

References (45)
  • 1
    • 84877287787 scopus 로고    scopus 로고
    • An Evolutionary Perspective on Food and Human Taste
    • COI: 1:CAS:528:DC%2BC3sXnt1ajtb0%3D, PID: 23660364
    • Breslin, P. A. S. An Evolutionary Perspective on Food and Human Taste. Curr. Biol. 23, R409–R418 (2013).
    • (2013) Curr. Biol. , vol.23 , pp. R409-R418
    • Breslin, P.A.S.1
  • 2
    • 0037007027 scopus 로고    scopus 로고
    • Human receptors for sweet and umami taste
    • COI: 1:CAS:528:DC%2BD38XivFSgs74%3D, PID: 11917125
    • Li, X. et al. Human receptors for sweet and umami taste. Proc. Natl. Acad. Sci. USA 99, 4692–6 (2002).
    • (2002) Proc. Natl. Acad. Sci. USA , vol.99 , pp. 4692-4696
    • Li, X.1
  • 3
    • 84961891821 scopus 로고    scopus 로고
    • Bitter taste receptors: Novel insights into the biochemistry and pharmacology
    • COI: 1:CAS:528:DC%2BC28XlsVWltL4%3D, PID: 26995065
    • Jaggupilli, A., Howard, R., Upadhyaya, J. D., Bhullar, R. P. & Chelikani, P. Bitter taste receptors: Novel insights into the biochemistry and pharmacology. Int. J. Biochem. Cell Biol. 77, 184–196 (2016).
    • (2016) Int. J. Biochem. Cell Biol. , vol.77 , pp. 184-196
    • Jaggupilli, A.1    Howard, R.2    Upadhyaya, J.D.3    Bhullar, R.P.4    Chelikani, P.5
  • 4
    • 80053459477 scopus 로고    scopus 로고
    • Gustatory and extragustatory functions of mammalian taste receptors
    • COI: 1:CAS:528:DC%2BC3MXht1Kmtr7I, PID: 21324331
    • Behrens, M. & Meyerhof, W. Gustatory and extragustatory functions of mammalian taste receptors. Physiol. Behav. 105, 4–13 (2011).
    • (2011) Physiol. Behav. , vol.105 , pp. 4-13
    • Behrens, M.1    Meyerhof, W.2
  • 5
    • 84871889643 scopus 로고    scopus 로고
    • Chemosensors in the Nose: Guardians of the Airways
    • COI: 1:CAS:528:DC%2BC3sXjsVKisbs%3D, PID: 23280357
    • Tizzano, M. & Finger, T. E. Chemosensors in the Nose: Guardians of the Airways. Physiology 28, 51–60 (2013).
    • (2013) Physiology , vol.28 , pp. 51-60
    • Tizzano, M.1    Finger, T.E.2
  • 6
    • 80053489155 scopus 로고    scopus 로고
    • Taste isn’t just for taste buds anymore
    • PID: 21941599
    • Finger, T. E. & Kinnamon, S. C. Taste isn’t just for taste buds anymore. F1000 Biol. Rep. 3, 20 (2011).
    • (2011) F1000 Biol. Rep. , vol.3 , pp. 20
    • Finger, T.E.1    Kinnamon, S.C.2
  • 7
    • 84902271945 scopus 로고    scopus 로고
    • Functional roles of the sweet taste receptor in oral and extraoral tissues
    • COI: 1:CAS:528:DC%2BC2cXpsVelt70%3D, PID: 24763065
    • Laffitte, A., Neiers, F. & Briand, L. Functional roles of the sweet taste receptor in oral and extraoral tissues. Curr. Opin. Clin. Nutr. Metab. Care 17, 379–385 (2014).
    • (2014) Curr. Opin. Clin. Nutr. Metab. Care , vol.17 , pp. 379-385
    • Laffitte, A.1    Neiers, F.2    Briand, L.3
  • 8
    • 0033667684 scopus 로고    scopus 로고
    • Bitter taste, phytonutrients, and the consumer: a review
    • COI: 1:CAS:528:DC%2BD3cXosl2msbY%3D, PID: 11101467
    • Drewnowski, A. & Gomez-Carneros, C. Bitter taste, phytonutrients, and the consumer: a review. Am. J. Clin. Nutr. 72, 1424–1435 (2000).
    • (2000) Am. J. Clin. Nutr. , vol.72 , pp. 1424-1435
    • Drewnowski, A.1    Gomez-Carneros, C.2
  • 9
    • 85050579684 scopus 로고    scopus 로고
    • Intense Sweeteners, Appetite for the Sweet Taste, and Relationship to Weight Management
    • PID: 26005598
    • Bellisle, F. Intense Sweeteners, Appetite for the Sweet Taste, and Relationship to Weight Management. Curr. Obes. Rep. 4, 106–110 (2015).
    • (2015) Curr. Obes. Rep. , vol.4 , pp. 106-110
    • Bellisle, F.1
  • 11
    • 85016422746 scopus 로고    scopus 로고
    • Bitterness prediction in-silico: A step towards better drugs
    • COI: 1:CAS:528:DC%2BC2sXlsVaqsb0%3D, PID: 28363856
    • Bahia, M. S., Nissim, I. & Niv, M. Y. Bitterness prediction in-silico: A step towards better drugs. Int. J. Pharm. 536, 526–529 (2018).
    • (2018) Int. J. Pharm. , vol.536 , pp. 526-529
    • Bahia, M.S.1    Nissim, I.2    Niv, M.Y.3
  • 12
    • 33646252229 scopus 로고    scopus 로고
    • Characterizing Bitterness: Identification of Key Structural Features and Development of a Classification Model
    • COI: 1:CAS:528:DC%2BD28XhtVGqur0%3D, PID: 16562985
    • Rodgers, S., Glen, R. C. & Bender, A. Characterizing Bitterness: Identification of Key Structural Features and Development of a Classification Model. J. Chem. Inf. Model. 46, 569–576 (2006).
    • (2006) J. Chem. Inf. Model. , vol.46 , pp. 569-576
    • Rodgers, S.1    Glen, R.C.2    Bender, A.3
  • 13
    • 84962422602 scopus 로고    scopus 로고
    • BitterX: a tool for understanding bitter taste in humans
    • COI: 1:CAS:528:DC%2BC28XlsVWnt7o%3D, PID: 27040075
    • Huang, W. et al. BitterX: a tool for understanding bitter taste in humans. Sci. Rep. 6, 23450 (2016).
    • (2016) Sci. Rep. , vol.6
    • Huang, W.1
  • 14
    • 84856499826 scopus 로고    scopus 로고
    • BitterDB: a database of bitter compounds
    • COI: 1:CAS:528:DC%2BC3MXhs12htbrJ, PID: 21940398
    • Wiener, A., Shudler, M., Levit, A. & Niv, M. Y. BitterDB: a database of bitter compounds. Nucleic Acids Res. 40, D413–9 (2012).
    • (2012) Nucleic Acids Res. , vol.40 , pp. D413-D419
    • Wiener, A.1    Shudler, M.2    Levit, A.3    Niv, M.Y.4
  • 16
    • 85026784871 scopus 로고    scopus 로고
    • A QSTR-Based Expert System to Predict Sweetness of Molecules
    • PID: 28791285
    • Rojas, C. et al. A QSTR-Based Expert System to Predict Sweetness of Molecules. Front. Chem. 5, 53 (2017).
    • (2017) Front. Chem. , vol.5 , pp. 53
    • Rojas, C.1
  • 17
    • 33846390425 scopus 로고    scopus 로고
    • Dragon software: An easy approach to molecular descriptor calculations
    • COI: 1:CAS:528:DC%2BD2sXhtVWhtbg%3D
    • Mauri, A., Consonni, V., Pavan, M. & Todeschini, R. Dragon software: An easy approach to molecular descriptor calculations. Match Commun. Math. Comput. Chem. 56, 237–248 (2006).
    • (2006) Match Commun. Math. Comput. Chem. , vol.56 , pp. 237-248
    • Mauri, A.1    Consonni, V.2    Pavan, M.3    Todeschini, R.4
  • 18
    • 84959324876 scopus 로고    scopus 로고
    • Quantitative structure–activity relationships to predict sweet and non-sweet tastes
    • Rojas, C. et al. Quantitative structure–activity relationships to predict sweet and non-sweet tastes. Theor. Chem. Acc. 135, 66 (2016).
    • (2016) Theor. Chem. Acc. , vol.135
    • Rojas, C.1
  • 19
    • 85029893239 scopus 로고    scopus 로고
    • Bitter or not? BitterPredict, a tool for predicting taste from chemical structure
    • PID: 28935887
    • Dagan-Wiener, A. et al. Bitter or not? BitterPredict, a tool for predicting taste from chemical structure. Sci. Rep. 7, 12074 (2017).
    • (2017) Sci. Rep. , vol.7
    • Dagan-Wiener, A.1
  • 21
    • 85047466572 scopus 로고    scopus 로고
    • e-Bitter: Bitterant Prediction by the Consensus Voting From the Machine-Learning Methods
    • PID: 29651416
    • Zheng, S. et al. e-Bitter: Bitterant Prediction by the Consensus Voting From the Machine-Learning Methods. Front. Chem. 6, 82 (2018).
    • (2018) Front. Chem. , vol.6 , pp. 82
    • Zheng, S.1
  • 22
    • 85047493474 scopus 로고    scopus 로고
    • BitterSweetForest: A Random Forest Based Binary Classifier to Predict Bitterness and Sweetness of Chemical Compounds
    • PID: 29696137
    • Banerjee, P. & Preissner, R. BitterSweetForest: A Random Forest Based Binary Classifier to Predict Bitterness and Sweetness of Chemical Compounds. Front. Chem. 6, 93 (2018).
    • (2018) Front. Chem. , vol.6 , pp. 93
    • Banerjee, P.1    Preissner, R.2
  • 23
    • 78651339535 scopus 로고    scopus 로고
    • SuperSweet–a resource on natural and artificial sweetening agents
    • COI: 1:CAS:528:DC%2BC3sXivF2ltL0%3D, PID: 20952410
    • Ahmed, J. et al. SuperSweet–a resource on natural and artificial sweetening agents. Nucleic Acids Res. 39, D377–D382 (2011).
    • (2011) Nucleic Acids Res. , vol.39 , pp. D377-D382
    • Ahmed, J.1
  • 25
    • 84976888261 scopus 로고    scopus 로고
    • ChEBI in 2016: Improved services and an expanding collection of metabolites
    • COI: 1:CAS:528:DC%2BC2sXhtV2gu7bM, PID: 26467479
    • Hastings, J. et al. ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res. 44, D1214–9 (2016).
    • (2016) Nucleic Acids Res. , vol.44 , pp. D1214-D1219
    • Hastings, J.1
  • 26
    • 85040906106 scopus 로고    scopus 로고
    • FlavorDB: a database of flavor molecules
    • COI: 1:CAS:528:DC%2BC1cXitlGis7jL, PID: 29059383
    • Garg, N. et al. FlavorDB: a database of flavor molecules. Nucleic Acids Res. 46, D1210–D1216 (2018).
    • (2018) Nucleic Acids Res. , vol.46 , pp. D1210-D1216
    • Garg, N.1
  • 27
    • 0037192325 scopus 로고    scopus 로고
    • Distributed structure-searchable toxicity (DSSTox) public database network: a proposal
    • COI: 1:CAS:528:DC%2BD38Xms1Gjuw%3D%3D, PID: 11804603
    • Richard, A. M. & Williams, C. R. Distributed structure-searchable toxicity (DSSTox) public database network: a proposal. Mutat. Res. 499, 27–52 (2002).
    • (2002) Mutat. Res. , vol.499 , pp. 27-52
    • Richard, A.M.1    Williams, C.R.2
  • 28
    • 84941137806 scopus 로고    scopus 로고
    • Super Natural II—a database of natural products
    • COI: 1:CAS:528:DC%2BC2sXhtV2isbrF, PID: 25300487
    • Banerjee, P. et al. Super Natural II—a database of natural products. Nucleic Acids Res. 43, D935–D939 (2015).
    • (2015) Nucleic Acids Res. , vol.43 , pp. D935-D939
    • Banerjee, P.1
  • 29
    • 85040924244 scopus 로고    scopus 로고
    • DrugBank 5.0: A major update to the DrugBank database for 2018
    • COI: 1:CAS:528:DC%2BC1cXitlGisbvI, PID: 29126136
    • Wishart, D. S. et al. DrugBank 5.0: A major update to the DrugBank database for 2018. Nucleic Acids Res. 46, D1074–D1082 (2018).
    • (2018) Nucleic Acids Res. , vol.46 , pp. D1074-D1082
    • Wishart, D.S.1
  • 30
    • 0038708520 scopus 로고    scopus 로고
    • Adaptive Diversification of Bitter Taste Receptor Genes in Mammalian Evolution
    • COI: 1:CAS:528:DC%2BD3sXkvFCnsr4%3D, PID: 12679530
    • Shi, P., Zhang, J., Yang, H. & Zhang, Y.-P. Adaptive Diversification of Bitter Taste Receptor Genes in Mammalian Evolution. Mol. Biol. Evol. 20, 805–814 (2003).
    • (2003) Mol. Biol. Evol. , vol.20 , pp. 805-814
    • Shi, P.1    Zhang, J.2    Yang, H.3    Zhang, Y.-P.4
  • 31
    • 14544295509 scopus 로고    scopus 로고
    • Evolution of Bitter Taste Receptors in Humans and Apes
    • COI: 1:CAS:528:DC%2BD2MXhs1Krtbk%3D, PID: 15496549
    • Fischer, A., Gilad, Y., Man, O. & Pääbo, S. Evolution of Bitter Taste Receptors in Humans and Apes. Mol. Biol. Evol. 22, 432–436 (2005).
    • (2005) Mol. Biol. Evol. , vol.22 , pp. 432-436
    • Fischer, A.1    Gilad, Y.2    Man, O.3    Pääbo, S.4
  • 32
    • 33751084573 scopus 로고    scopus 로고
    • The receptors and cells for mammalian taste
    • COI: 1:CAS:528:DC%2BD28Xht1SgtbrO, PID: 17108952
    • Chandrashekar, J., Hoon, M. A., Ryba, N. J. P. & Zuker, C. S. The receptors and cells for mammalian taste. Nature 444, 288–294 (2006).
    • (2006) Nature , vol.444 , pp. 288-294
    • Chandrashekar, J.1    Hoon, M.A.2    Ryba, N.J.P.3    Zuker, C.S.4
  • 33
    • 84882909947 scopus 로고    scopus 로고
    • The bad taste of medicines: overview of basic research on bitter taste
    • PID: 23886820
    • Mennella, J. A., Spector, A. C., Reed, D. R. & Coldwell, S. E. The bad taste of medicines: overview of basic research on bitter taste. Clin. Ther. 35, 1225–46 (2013).
    • (2013) Clin. Ther. , vol.35 , pp. 1225-1246
    • Mennella, J.A.1    Spector, A.C.2    Reed, D.R.3    Coldwell, S.E.4
  • 34
    • 84899503308 scopus 로고    scopus 로고
    • The bitter pill: clinical drugs that activate the human bitter taste receptor TAS2R14
    • COI: 1:CAS:528:DC%2BC2cXks1Shu7g%3D, PID: 24285091
    • Levit, A. et al. The bitter pill: clinical drugs that activate the human bitter taste receptor TAS2R14. FASEB J. 28, 1181–1197 (2014).
    • (2014) FASEB J. , vol.28 , pp. 1181-1197
    • Levit, A.1
  • 36
    • 85041820276 scopus 로고    scopus 로고
    • The drug-maker’s guide to the galaxy
    • PID: 28959982
    • Mullard, A. The drug-maker’s guide to the galaxy. Nature 549, 445–447 (2017).
    • (2017) Nature , vol.549 , pp. 445-447
    • Mullard, A.1
  • 37
    • 0029616588 scopus 로고
    • Hazardous substances data bank (HSDB) as a source of environmental fate information on chemicals
    • COI: 1:CAS:528:DyaK2MXovVylsLc%3D, PID: 8545846
    • Fonger, G. C. Hazardous substances data bank (HSDB) as a source of environmental fate information on chemicals. Toxicology 103, 137–145 (1995).
    • (1995) Toxicology , vol.103 , pp. 137-145
    • Fonger, G.C.1
  • 38
    • 80053512597 scopus 로고    scopus 로고
    • Open Babel: An open chemical toolbox
    • PID: 21982300
    • O’Boyle, N. M. et al. Open Babel: An open chemical toolbox. J. Cheminform. 3, 33 (2011).
    • (2011) J. Cheminform. , vol.3 , pp. 33
    • O’Boyle, N.M.1
  • 39
    • 77955709186 scopus 로고    scopus 로고
    • Towards the comprehensive, rapid, and accurate prediction of the favorable tautomeric states of drug-like molecules in aqueous solution
    • COI: 1:CAS:528:DC%2BC3cXnsFGqtbo%3D, PID: 20354892
    • Greenwood, J. R., Calkins, D., Sullivan, A. P. & Shelley, J. C. Towards the comprehensive, rapid, and accurate prediction of the favorable tautomeric states of drug-like molecules in aqueous solution. J. Comput. Aided. Mol. Des. 24, 591–604 (2010).
    • (2010) J. Comput. Aided. Mol. Des. , vol.24 , pp. 591-604
    • Greenwood, J.R.1    Calkins, D.2    Sullivan, A.P.3    Shelley, J.C.4
  • 40
    • 77956276766 scopus 로고    scopus 로고
    • Analysis and comparison of 2D fingerprints: Insights into database screening performance using eight fingerprint methods
    • COI: 1:CAS:528:DC%2BC3cXhtFamtLrM, PID: 20579912
    • Duan, J., Dixon, S. L., Lowrie, J. F. & Sherman, W. Analysis and comparison of 2D fingerprints: Insights into database screening performance using eight fingerprint methods. J. Mol. Graph. Model. 29, 157–170 (2010).
    • (2010) J. Mol. Graph. Model. , vol.29 , pp. 157-170
    • Duan, J.1    Dixon, S.L.2    Lowrie, J.F.3    Sherman, W.4
  • 41
    • 84876266543 scopus 로고    scopus 로고
    • ChemoPy: freely available python package for computational biology and chemoinformatics
    • Cao, D. S., Xu, Q. S., Hu, Q. N. & Liang, Y. Z. ChemoPy: Freely available python package for computational biology and chemoinformatics. Bioinformatics, 10.1093/bioinformatics/btt105 (2013).
    • (2013) Bioinformatics , vol.29 , Issue.8 , pp. 1092-1094
    • Cao, D.-S.1    Xu, Q.-S.2    Hu, Q.-N.3    Liang, Y.-Z.4
  • 44
    • 84883828968 scopus 로고    scopus 로고
    • Prediction of Sweetness by Multilinear Regression Analysis and Support Vector Machine
    • COI: 1:CAS:528:DC%2BC3sXhsVWrt77J, PID: 23915005
    • Zhong, M., Chong, Y., Nie, X., Yan, A. & Yuan, Q. Prediction of Sweetness by Multilinear Regression Analysis and Support Vector Machine. J. Food Sci. 78, S1445 (2013).
    • (2013) J. Food Sci. , vol.78 , pp. S1445
    • Zhong, M.1    Chong, Y.2    Nie, X.3    Yan, A.4    Yuan, Q.5


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