메뉴 건너뛰기




Volumn 4, Issue 9, 2012, Pages

Template-based combinatorial enumeration of virtual compound libraries for lipids

Author keywords

[No Author keywords available]

Indexed keywords


EID: 84872469846     PISSN: None     EISSN: 17582946     Source Type: Journal    
DOI: 10.1186/1758-2946-4-23     Document Type: Article
Times cited : (24)

References (39)
  • 1
    • 84857581580 scopus 로고    scopus 로고
    • Design of combinatorial libraries for the exploration of virtual hits from fragment space searches with LoFT
    • Lessel U, Wellenzohn B, Fischer JR, Rarey M: Design of combinatorial libraries for the exploration of virtual hits from fragment space searches with LoFT. J Chem Inf Model 2012, 52:373-379.
    • (2012) J Chem Inf Model , vol.52 , pp. 373-379
    • Lessel, U.1    Wellenzohn, B.2    Fischer, J.R.3    Rarey, M.4
  • 3
    • 34547686017 scopus 로고    scopus 로고
    • Library fingerprints: A novel approach to the screening of virtual libraries
    • DOI 10.1021/ci7000204
    • Klon AE, Diller DJ: Library Fingerprints: A novel approach to the screening of virtual libraries. J Chem Inf Model 2007, 47:1354-1365. (Pubitemid 47210039)
    • (2007) Journal of Chemical Information and Modeling , vol.47 , Issue.4 , pp. 1354-1365
    • Klon, A.E.1    Diller, D.J.2
  • 4
    • 13844319727 scopus 로고    scopus 로고
    • Pharmacophore identification, in silico screening, and virtual library design for inhibitors of the human factor Xa
    • DOI 10.1021/ci049778k
    • Krovat EM, Frühwirth KH, Langer T: Pharmacophore identification, in silico screening, and virtual library design for inhibitors of the human factor Xa. J Chem Inf Model 2005, 45:146-159. (Pubitemid 40736967)
    • (2005) Journal of Chemical Information and Modeling , vol.45 , Issue.1 , pp. 146-159
    • Krovat, E.M.1    Fruhwirth, K.H.2    Langer, T.3
  • 5
    • 0000333109 scopus 로고    scopus 로고
    • Stochastic similarity selections from large combinatorial libraries
    • Lobanov VS, Agrafiotis DK: Stochastic similarity selections from large combinatorial libraries. J Chem Inf Comput Sci 2000, 40:460-470.
    • (2000) J Chem Inf Comput Sci , vol.40 , pp. 460-470
    • Lobanov, V.S.1    Agrafiotis, D.K.2
  • 7
    • 84864256835 scopus 로고    scopus 로고
    • Automated recycling of chemistry for virtual screening and library design
    • Vainio MJ, Kogej T, Florian R: Automated recycling of chemistry for virtual Screening and library Design. J Chem Inf Model 2012, 52:1777-1786.
    • (2012) J Chem Inf Model , vol.52 , pp. 1777-1786
    • Vainio, M.J.1    Kogej, T.2    Florian, R.3
  • 8
    • 33746891508 scopus 로고    scopus 로고
    • GLARE - A free open source software for combinatorial library design
    • Truchon JF, Bayly CI: GLARE - A free open source software for combinatorial library design. J Chem Inf Model 2006, 46:1536-1548.
    • (2006) J Chem Inf Model , vol.46 , pp. 1536-1548
    • Truchon, J.F.1    Bayly, C.I.2
  • 10
    • 34250656225 scopus 로고    scopus 로고
    • SmiLib v2.0: A Java-based tool for rapid combinatorial library enumeration
    • DOI 10.1002/qsar.200630101
    • Schüller A, Hähnke V, Schneider G, SmiLib v2.0: A Java-based tool for rapid combinatorial library enumeration. QSAR Comb Sci 2007, 3:407-410. (Pubitemid 46932867)
    • (2007) QSAR and Combinatorial Science , vol.26 , Issue.3 , pp. 407-410
    • Schuller, A.1    Hahnke, V.2    Schneider, G.3
  • 11
    • 84875208767 scopus 로고    scopus 로고
    • SmiLib v2.0: http://gecco.org.chemie.uni-frankfurt.de/smilib/.
  • 12
    • 84875225245 scopus 로고    scopus 로고
    • Library synthesizer: http://tripod.nih.gov/?p=370.
  • 13
    • 84875223917 scopus 로고    scopus 로고
    • Pipeline pilot combinatorial library design chemistry component: www.accelrys.com.
  • 14
    • 84875231335 scopus 로고    scopus 로고
    • Reactor: www.chemaxon. com.
  • 15
    • 84875212086 scopus 로고    scopus 로고
    • OELib library enumeration: www.eyesopen. com.
  • 16
    • 84875222691 scopus 로고    scopus 로고
    • CombiLibMaker and Legion: www.tripos.com.
  • 17
    • 84875231351 scopus 로고    scopus 로고
    • QuaSAR-CombiGen: www.chemcomp. com.
  • 18
    • 84875210121 scopus 로고    scopus 로고
    • ChemOffice CombiChem: [www.cambridgesoft.com].
  • 19
    • 84875216864 scopus 로고    scopus 로고
    • ICM-Chemist: www.molsoft.com.
  • 21
    • 84875221332 scopus 로고    scopus 로고
    • Library enumeration: www.treweren. com.
  • 22
    • 20444371592 scopus 로고    scopus 로고
    • Construction of a virtual combinatorial library using SMILES strings to discover potential structure-diverse PPAR modulators
    • DOI 10.1016/j.ejmech.2005.02.006, PII S0223523405000541
    • Liao C, Liu B, Shi L, Zhou J, Lu XP: Construction of a virtual combinatorial library using SMILES strings to discover potential structure-diverse PPAR modulators. Eur J Med Chem 2005, 40:632-40. (Pubitemid 40797559)
    • (2005) European Journal of Medicinal Chemistry , vol.40 , Issue.7 , pp. 632-640
    • Liao, C.1    Liu, B.2    Shi, L.3    Zhou, J.4    Lu, X.-P.5
  • 26
    • 0023965741 scopus 로고
    • SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
    • Weininger D: SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules. J Am Chem Soc 1988, 28:31-36. (Pubitemid 18574254)
    • (1988) Journal of Chemical Information and Computer Sciences , vol.28 , Issue.1 , pp. 31-36
    • Weininger David1
  • 27
    • 0024664539 scopus 로고
    • SMILES. 2: Algorithm for generation of unique SMILES notation
    • Weininger D, Weininger A, Weininger JL, SMILES. 2: Algorithm for generation of unique SMILES notation. J Am Chem Soc 1989, 29:97-101.
    • (1989) J Am Chem Soc , vol.29 , pp. 97-101
    • Weininger, D.1    Weininger, A.2    Weininger, J.L.3
  • 29
    • 84856552230 scopus 로고    scopus 로고
    • LIPID MAPS-Nature Lipidomics Gateway: An online resource for students and educators interested in lipids
    • Sud M, Fahy E, Cotter D, Dennis EA, Subramaniam S: LIPID MAPS-Nature Lipidomics Gateway: An online resource for students and educators interested in lipids. J Chem Educ 2012, 89:291-292.
    • (2012) J Chem Educ , vol.89 , pp. 291-292
    • Sud, M.1    Fahy, E.2    Cotter, D.3    Dennis, E.A.4    Subramaniam, S.5
  • 30
    • 84875216209 scopus 로고    scopus 로고
    • LIPID MAPS-Nature Lipidomics Gateway: www.lipidmaps.org.
  • 35
    • 0020169638 scopus 로고
    • Basic principles of the CIP-systems and proposals for a revision
    • Prelog V, Helmchen G: Basic principles of the CIP-systems and proposals for a revision. Angew Chem Int Ed Engl 1982, 21:567-583.
    • (1982) Angew Chem Int Ed Engl , vol.21 , pp. 567-583
    • Prelog, V.1    Helmchen, G.2
  • 37
    • 0004207406 scopus 로고    scopus 로고
    • 2nd edition. California, USA: O'Reilly & Associates, Inc., 101 Morris Street, Sebastopol
    • Wall L, Christiansen T, Schwartz RL: Programming Perl. 2nd edition. California, USA: O'Reilly & Associates, Inc., 101 Morris Street, Sebastopol; 1996.
    • (1996) Programming Perl
    • Wall, L.1    Christiansen, T.2    Schwartz, R.L.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.