메뉴 건너뛰기




Volumn 51, Issue 5, 2011, Pages 986-995

TIN - A combinatorial compound collection of synthetically feasible multicomponent synthesis products

Author keywords

[No Author keywords available]

Indexed keywords

DIGITAL LIBRARIES; KETONES; SCAFFOLDS; SEARCH ENGINES; SET THEORY;

EID: 79960211065     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci100443x     Document Type: Article
Times cited : (10)

References (22)
  • 1
    • 1642357706 scopus 로고    scopus 로고
    • The many roles of computation in drug discovery
    • Jorgensen, W. L. The Many Roles of Computation in Drug Discovery. Science 2004, 303.
    • (2004) Science , pp. 303
    • Jorgensen, W.L.1
  • 2
    • 11144323163 scopus 로고    scopus 로고
    • Virtual screening of chemical libraries
    • DOI 10.1038/nature03197
    • Shoichet, B. K. Virtual screening of chemical libraries. Nature 2004, 432, 862-865. (Pubitemid 40037142)
    • (2004) Nature , vol.432 , Issue.7019 , pp. 862-865
    • Shoichet, B.K.1
  • 3
    • 77955164462 scopus 로고    scopus 로고
    • Lead identification: Combining strengths to find high-quality leads
    • Tse, M. Lead identification: Combining strengths to find high-quality leads. Nat. Rev. Drug. Discovery 2010, 9, 593.
    • (2010) Nat. Rev. Drug. Discovery , vol.9 , pp. 593
    • Tse, M.1
  • 5
    • 8844263008 scopus 로고    scopus 로고
    • Docking and scoring in virtual screening for drug discovery: Methods and applications
    • DOI 10.1038/nrd1549
    • Kitchen, D. B.; Decornez, H.; Furr, J. R.; Bajorath, J. Docking and scoring in virtual screening for drug discovery: methods and applications. Nat. Rev. Drug. Discovery 2004, 3, 935-949. (Pubitemid 39529931)
    • (2004) Nature Reviews Drug Discovery , vol.3 , Issue.11 , pp. 935-949
    • Kitchen, D.B.1    Decornez, H.2    Furr, J.R.3    Bajorath, J.4
  • 6
    • 3242888975 scopus 로고    scopus 로고
    • Integrating virtual screening in lead discovery
    • DOI 10.1016/j.cbpa.2004.06.008, PII S1367593104000845
    • Oprea, T.; Matter, H. Integrating virtual screening in lead discovery. Curr. Opin. Chem. Biol. 2004, 8, 349-358. (Pubitemid 38996798)
    • (2004) Current Opinion in Chemical Biology , vol.8 , Issue.4 , pp. 349-358
    • Oprea, T.I.1    Matter, H.2
  • 7
    • 13844312649 scopus 로고    scopus 로고
    • ZINC - A free database of commercially available compounds for virtual screening
    • DOI 10.1021/ci049714+
    • Irwin, J. J.; Shoichet, B. K. ZINC - a free database of commercially available compounds for virtual screening. J. Chem. Inf. Model. 2005, 45, 177-182. (Pubitemid 40736970)
    • (2005) Journal of Chemical Information and Modeling , vol.45 , Issue.1 , pp. 177-182
    • Irwin, J.J.1    Shoichet, B.K.2
  • 9
    • 0037463787 scopus 로고    scopus 로고
    • Practical routes to diacetylenic ketones and their application for the preparation of alkynyl substituted pyridines, pyrimidines and pyrazoles
    • DOI 10.1016/S0040-4020(03)00244-8
    • Adamo, M. F. A.; Adlington, R. M.; Baldwin, J. E.; Pritchard, G. J.; Rathmell, R. E. Practical routes to diacetylenic ketones and their application for the preparation of alkynyl substituted pyridines, pyrimidines and pyrazoles. Tetrahedron 2003, 59, 2197-2205. (Pubitemid 36331895)
    • (2003) Tetrahedron , vol.59 , Issue.13 , pp. 2197-2205
    • Adamo, M.F.A.1    Adlington, R.M.2    Baldwin, J.E.3    Pritchard, G.J.4    Rathmell, R.E.5
  • 10
    • 17444405275 scopus 로고    scopus 로고
    • Application of bis-acetylenic ketones in synthesis: One-pot preparation of the 1,2,4-triazepine and oxatriazaindenone cores
    • DOI 10.1021/jo047991+
    • Adamo, M. F. A.; Baldwin, J. E.; Adlington, R. M. Application of bis-acetylenic ketones in synthesis: one-pot preparation of the 1,2,4-triazepine and oxatriazaindenone cores. J. Org. Chem. 2005, 70 3307-3308. (Pubitemid 40547562)
    • (2005) Journal of Organic Chemistry , vol.70 , Issue.8 , pp. 3307-3308
    • Adamo, M.F.A.1    Baldwin, J.E.2    Adlington, R.M.3
  • 11
    • 33846902858 scopus 로고    scopus 로고
    • Modular synthesis of isoxazoleazepinones and pyrazoleazepinones
    • Adamo, M. F. A.; Donati, D.; Duffy, E. F.; Sarti-Fantoni, P. Modular synthesis of isoxazoleazepinones and pyrazoleazepinones. Tetrahedron 2007, 63 2684-2688.
    • (2007) Tetrahedron , vol.63 , pp. 2684-2688
    • Adamo, M.F.A.1    Donati, D.2    Duffy, E.F.3    Sarti-Fantoni, P.4
  • 12
    • 33750920842 scopus 로고    scopus 로고
    • Multicomponent synthesis of 3-heteroarylpropionic acids
    • DOI 10.1021/ol062151y
    • Adamo, M. F. A.; Duffy, E. F. Multicomponent synthesis of 3-heteroarylpropionic acids. Org. Lett. 2006, 8, 5157-5159. (Pubitemid 44728902)
    • (2006) Organic Letters , vol.8 , Issue.22 , pp. 5157-5159
    • Adamo, M.F.A.1    Duffy, E.F.2
  • 13
    • 33846337751 scopus 로고    scopus 로고
    • Modular synthesis of isoxazolopyridones and pyrazolopyridones
    • DOI 10.1016/j.tet.2006.12.044, PII S0040402006020096
    • Adamo, M. F. A.; Duffy, E. F.; Donati, D.; Sarti-Fantoni, P. Modular synthesis of isoxazolopyridones and pyrazolopyridones. Tetrahedron 2007, 63 2047-2052. (Pubitemid 46136358)
    • (2007) Tetrahedron , vol.63 , Issue.9 , pp. 2047-2052
    • Adamo, M.F.A.1    Duffy, E.F.2    Donati, D.3    Sarti-Fantoni, P.4
  • 14
    • 33745135773 scopus 로고    scopus 로고
    • Recent developments of the Chemistry Development Kit (CDK) - An open-source Java library for chemo- and bioinformatics
    • DOI 10.2174/138161206777585274
    • Steinbeck, C.; Hoppe, C.; Kuhn, S.; Floris, M.; Guha, R.; Willighagen, E. L. Recent developments of the chemistry development kit (CDK) - an open-source java library for chemo- and bioinformatics. Curr. Pharm. Des. 2006, 12 2111-2120. (Pubitemid 43891407)
    • (2006) Current Pharmaceutical Design , vol.12 , Issue.17 , pp. 2111-2120
    • Steinbeck, C.1    Hoppe, C.2    Kuhn, S.3    Floris, M.4    Guha, R.5    Willighagen, E.L.6
  • 15
    • 31444452744 scopus 로고
    • Automatic generation of 3D-atomic coordinates for organic molecules
    • Gasteiger, J.; Rudolph, C.; Sadowski, J. Automatic generation of 3D-atomic coordinates for organic molecules. Tetrahedron Comput. Methodol. 1990, 3, 537-547.
    • (1990) Tetrahedron Comput. Methodol. , vol.3 , pp. 537-547
    • Gasteiger, J.1    Rudolph, C.2    Sadowski, J.3
  • 16
    • 0347296066 scopus 로고    scopus 로고
    • Assessing the performance of OMEGA with respect to retrieving bioactive conformations
    • DOI 10.1016/S1093-3263(02)00204-8, PII S1093326302002048
    • Bostrom, J.; Greenwood, J. R.; Gottfries, J. Assessing the performance of OMEGA with respect to retrieving bioactive conformations. J. Mol. Graphics Modell. 2003, 21 449-462. (Pubitemid 36120775)
    • (2003) Journal of Molecular Graphics and Modelling , vol.21 , Issue.5 , pp. 449-462
    • Bostrom, J.1    Greenwood, J.R.2    Gottfries, J.3
  • 17
    • 35748934487 scopus 로고    scopus 로고
    • The influence of drug-like concepts on decision-making in medicinal chemistry
    • DOI 10.1038/nrd2445, PII NRD2445
    • Leeson, P. D.; Springthorpe, B. The influence of drug-like concepts on decision-making in medicinal chemistry. Nat. Rev. Drug Discovery 2007, 6 881-890. (Pubitemid 350042396)
    • (2007) Nature Reviews Drug Discovery , vol.6 , Issue.11 , pp. 881-890
    • Leeson, P.D.1    Springthorpe, B.2
  • 18
    • 0031024171 scopus 로고    scopus 로고
    • Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
    • DOI 10.1016/S0169-409X(96)00423-1, PII S0169409X96004231
    • Lipinski, C.; Lombardo, F.; Dominy, B.; Feeney, P. Experimental and Computational Approaches to Estimate Solubility and Permeability in Drug Discovery and Development Settings. Adv. Drug Delivery Rev. 1997, 23, 3-25. (Pubitemid 27046991)
    • (1997) Advanced Drug Delivery Reviews , vol.23 , Issue.1-3 , pp. 3-25
    • Lipinski, C.A.1    Lombardo, F.2    Dominy, B.W.3    Feeney, P.J.4
  • 19
    • 0034073605 scopus 로고    scopus 로고
    • Property distribution of drug-related chemical databases
    • DOI 10.1023/A:1008130001697
    • Oprea, T. Property Distribution of Drug-Related Chemical Databases. J. Comput.-Aided Mol. Des. 2000, 14 251-264. (Pubitemid 30175944)
    • (2000) Journal of Computer-Aided Molecular Design , vol.14 , Issue.3 , pp. 251-264
    • Oprea, T.I.1
  • 20
    • 61749093196 scopus 로고    scopus 로고
    • ChEMBL
    • An interview with john overington, team leader, chemogenomics at the European bioinformatics institute outstation of the European molecular biology laboratory (EMBL-EBI). Interview by wendy A. Warr
    • Overington, J. ChEMBL. An interview with John Overington, team leader, chemogenomics at the European Bioinformatics Institute Outstation of the European Molecular Biology Laboratory (EMBL-EBI). Interview by Wendy A. Warr. J. Comput.-Aided Mol. Des. 2009, 23, 195-198.
    • (2009) J. Comput.-Aided Mol. Des. , vol.23 , pp. 195-198
    • Overington, J.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.