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Volumn 4, Issue 2, 2012, Pages

Blind trials of computer-assisted structure elucidation software

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EID: 84862660471     PISSN: None     EISSN: 17582946     Source Type: Journal    
DOI: 10.1186/1758-2946-4-5     Document Type: Article
Times cited : (19)

References (28)
  • 3
    • 4444369986 scopus 로고    scopus 로고
    • Recent developments in automated structure elucidation of natural products
    • DOI 10.1039/b400678j
    • Steinbeck C: Recent developments in automated structure elucidation of natural products. Nat Prod Rep 2004, 21:512-518. (Pubitemid 39182705)
    • (2004) Natural Product Reports , vol.21 , Issue.4 , pp. 512-518
    • Steinbeck, C.1
  • 4
    • 0036113943 scopus 로고    scopus 로고
    • Application of a new expert system for the structure elucidation of natural products from their 1D and 2D NMR data
    • DOI 10.1021/np0103315
    • Elyashberg ME, Blinov KA, Williams AJ, Martirosian ER, Molodtsov SG: Application of a new expert system for the structure elucidation of natural products from their 1D and 2D NMR data. J Nat Prod 2002, 65:693-703. (Pubitemid 34547412)
    • (2002) Journal of Natural Products , vol.65 , Issue.5 , pp. 693-703
    • Elyashberg, M.E.1    Blinov, K.A.2    Williams, A.J.3    Martirosian, E.R.4    Molodtsov, S.G.5
  • 5
    • 2942733686 scopus 로고    scopus 로고
    • Structure Elucidator: A versatile expert system for molecular structure elucidation from 1D and 2D NMR data and molecular fragments
    • Elyashberg ME, Blinov KA, Molodtsov SG, Williams AJ, Martin GE, Martirosian ER: Structure Elucidator: a versatile expert system for molecular structure elucidation from 1D and 2D NMR data and molecular fragments. J Chem Inf Comput Sci 2004, 44:771-792.
    • (2004) J Chem Inf Comput Sci , vol.44 , pp. 771-792
    • Elyashberg, M.E.1    Blinov, K.A.2    Molodtsov, S.G.3    Williams, A.J.4    Martin, G.E.5    Martirosian, E.R.6
  • 7
    • 0001219165 scopus 로고
    • CASE, a computer model of the structure elucidation process
    • Shelley CA, Munk ME: CASE, a computer model of the structure elucidation process. Anal Chim Acta 1981, 133:507-516.
    • (1981) Anal Chim Acta , vol.133 , pp. 507-516
    • Shelley, C.A.1    Munk, M.E.2
  • 8
    • 84884673690 scopus 로고    scopus 로고
    • Structure Elucidator Challenge. [http://www.acdlabs.com/products/com- iden/elucidation/struc-eluc/challenge.php].
    • Structure Elucidator Challenge.
  • 11
    • 84884675355 scopus 로고    scopus 로고
    • accessed November 26th 2011
    • Moser A: The Facets of Structure Elucidation. Blog post [http://acdlabs. typepad.com/elucidation/2009/01/the-facets-of-structure-elucidation. html], accessed November 26th 2011.
    • The Facets of Structure Elucidation
    • Moser, A.1
  • 16
    • 33745700300 scopus 로고    scopus 로고
    • Berkelic acid, a novel spiroketal with selective anticancer activity from an acid mine waste fungal extremophile
    • Stierle AA, Stierle DB, Kelly K: Berkelic Acid, A Novel Spiroketal with Selective Anticancer Activity from an Acid Mine Waste Fungal Extremophile. J Org Chem 2006, 71:5357-5360.
    • (2006) J Org Chem , vol.71 , pp. 5357-5360
    • Stierle, A.A.1    Stierle, D.B.2    Kelly, K.3
  • 17
    • 43049183318 scopus 로고    scopus 로고
    • Computer-assisted structure verification and elucidation tools in NMR-based structure elucidation
    • DOI 10.1016/j.pnmrs.2007.04.003, PII S0079656507000362
    • Elyashberg ME, Williams AJ, Martin GE: Computer-assisted structure verification and elucidation tools in NMR-based structure elucidation. Prog NMR Spectrosc 2008, 53:1-104. (Pubitemid 351635539)
    • (2008) Progress in Nuclear Magnetic Resonance Spectroscopy , vol.53 , Issue.1-2 , pp. 1-104
    • Elyashberg, M.E.1    Williams, A.J.2    Martin, G.E.3
  • 18
    • 0001731705 scopus 로고
    • HOSE - A novel substructure code
    • Bremser W: HOSE - A novel substructure code. Anal Chim Acta 1978, 103:355-365.
    • (1978) Anal Chim Acta , vol.103 , pp. 355-365
    • Bremser, W.1
  • 19
    • 67649960106 scopus 로고    scopus 로고
    • A systematic approach for the generation and verification of structural hypotheses
    • Elyashberg ME, Blinov KA, Williams AJ: A systematic approach for the generation and verification of structural hypotheses. Magn Reson Chem 2009, 47:371-389.
    • (2009) Magn Reson Chem , vol.47 , pp. 371-389
    • Elyashberg, M.E.1    Blinov, K.A.2    Williams, A.J.3
  • 20
    • 24744465605 scopus 로고    scopus 로고
    • Dendridine A, a Bis-indole alkaloid from a marine sponge Dictyodendrilla species
    • DOI 10.1021/np050076e
    • Tsuda M, Takahashi Y, Fromont J, Mikami Y, Kobayashi J: Dendridine A, a Bis-indole Alkaloid from a Marine Sponge Dictyodendrilla Species. J Nat Prod 2005, 68:1277-1278. (Pubitemid 41291280)
    • (2005) Journal of Natural Products , vol.68 , Issue.8 , pp. 1277-1278
    • Tsuda, M.1    Takahashi, Y.2    Fromont, J.3    Mikami, Y.4    Kobayashi, J.5
  • 21
    • 0040899956 scopus 로고    scopus 로고
    • Version 12.0. Advanced Chemistry Development, Inc., Ontario, Canada
    • ACD/CNMR Predictor, Version 12.0. Advanced Chemistry Development, Inc., Ontario, Canada; 2011
    • (2011) ACD/CNMR Predictor
  • 23
    • 77949898737 scopus 로고    scopus 로고
    • Secondary metabolites of aureobasidium pullulans isolated from Egyptian soil and their biological activity
    • Zain ME, Awaad S Amani, Razak AA, Maitland DJ, Khamis NE, Sakhawy MA: Secondary Metabolites of Aureobasidium Pullulans Isolated from Egyptian Soil and Their Biological Activity. J Appl Sci Res 2009, 5:1582-1591
    • (2009) J Appl Sci Res , vol.5 , pp. 1582-1591
    • Zain, M.E.1    Amani, A.A.2    Razak, A.A.3    Maitland, D.J.4    Khamis, N.E.5    Sakhawy, M.A.6
  • 24
    • 3042706094 scopus 로고    scopus 로고
    • Psymberin, a potent sponge-derived cytotoxin from Psammocinia distantly related to the pederin family
    • Cichewicz RH, Valeriote FA, Crews P: Psymberin, A Potent Sponge-Derived Cytotoxin from Psammocinia Distantly Related to the Pederin Family. Org Lett 2004, 6:1951-1954. (Pubitemid 38860018)
    • (2004) Organic Letters , vol.6 , Issue.12 , pp. 1951-1954
    • Cichewicz, R.H.1    Valeriote, F.A.2    Crews, P.3
  • 25
    • 33745224750 scopus 로고    scopus 로고
    • Azedaralide: Total synthesis, relative and absolute stereochemical assignment
    • Baker LA, Williams CM, Bernhardta PV, Yanikb GW: Azedaralide: total synthesis, relative and absolute stereochemical assignment. Tetrahedron 2006, 62:7355-7360.
    • (2006) Tetrahedron , vol.62 , pp. 7355-7360
    • Baker, L.A.1    Williams, C.M.2    Bernhardta, P.V.3    Yanikb, G.W.4
  • 26
    • 78649495633 scopus 로고    scopus 로고
    • Mutanobactin A from the human oral pathogen Streptococcus mutans is a crosskingdom regulator of the yeast-mycelium transition
    • Joyner PM, Liu J, Zhang Z, Merritt J, Qi F, Cichewicz RH: Mutanobactin A from the human oral pathogen Streptococcus mutans is a crosskingdom regulator of the yeast-mycelium transition. Org & Biomol Chem 2010, 8:5461-5702.
    • (2010) Org & Biomol Chem , vol.8 , pp. 5461-5702
    • Joyner, P.M.1    Liu, J.2    Zhang, Z.3    Merritt, J.4    Qi, F.5    Cichewicz, R.H.6
  • 28
    • 79953701655 scopus 로고    scopus 로고
    • "Inosaminoacids": Novel inositol-amino acid hybrid structures accessed by microbial arene oxidation
    • Pilgrim S, Kociok-Kohn G, Lloyd MD, Lewis SE: "Inosaminoacids": novel inositol-amino acid hybrid structures accessed by microbial arene oxidation. Chem Commun 2011, 474799-4801
    • (2011) Chem Commun , pp. 474799-4801
    • Pilgrim, S.1    Kociok-Kohn, G.2    Lloyd, M.D.3    Lewis, S.E.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.