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Volumn 42, Issue 4, 2002, Pages 869-878

Structure-based classification of antibacterial activity

Author keywords

[No Author keywords available]

Indexed keywords

ANTIBACTERIAL ACTIVITIES;

EID: 0036628553     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci025501d     Document Type: Article
Times cited : (90)

References (29)
  • 1
    • 0001375857 scopus 로고    scopus 로고
    • Combinatorial chemistry and molecular diversity. An overview
    • Warr, W.A. Combinatorial chemistry and molecular diversity. An overview. J. Chem. Inf. Comput. Sci. 1997, 37, 134-140.
    • (1997) J. Chem. Inf. Comput. Sci. , vol.37 , pp. 134-140
    • Warr, W.A.1
  • 2
    • 0035369725 scopus 로고    scopus 로고
    • Miniaturized HTS technologies - uHTS
    • Wolcke, J.; Ullmann, D. Miniaturized HTS technologies - uHTS. Drug Discuss. Today 2001, 6, 637-646.
    • (2001) Drug Discuss. Today , vol.6 , pp. 637-646
    • Wolcke, J.1    Ullmann, D.2
  • 3
    • 0033518275 scopus 로고    scopus 로고
    • Designing libraries with CNS activity
    • Ajay; Bemis, G.W.; Murcko, M.A. Designing libraries with CNS activity. J. Med. Chem. 1999, 42, 4942-4951.
    • (1999) J. Med. Chem. , vol.42 , pp. 4942-4951
    • Ajay1    Bemis, G.W.2    Murcko, M.A.3
  • 4
    • 0032572819 scopus 로고    scopus 로고
    • Can we learn to distinguish between "drag-like" and "nondrug-like" molecules?
    • Ajay; Walters, W.P.; Murcko, M.A. Can we learn to distinguish between "drag-like" and "nondrug-like" molecules? J. Med. Chem. 1998, 41, 3314-3324.
    • (1998) J. Med. Chem. , vol.41 , pp. 3314-3324
    • Ajay1    Walters, W.P.2    Murcko, M.A.3
  • 5
    • 0035159445 scopus 로고    scopus 로고
    • Recent advances in the role of topological indices in drug discovery research
    • Estrada, E.; Uriarte, E. Recent advances in the role of topological indices in drug discovery research. Curr. Med. Chem. 2001, 8, 1573-1588.
    • (2001) Curr. Med. Chem. , vol.8 , pp. 1573-1588
    • Estrada, E.1    Uriarte, E.2
  • 6
    • 0034073605 scopus 로고    scopus 로고
    • Property distribution of drag-related chemical databases
    • Oprea, T.I. Property distribution of drag-related chemical databases. J. Comput.-Aided Mol. Des. 2000, 14, 251-264.
    • (2000) J. Comput.-Aided Mol. Des. , vol.14 , pp. 251-264
    • Oprea, T.I.1
  • 7
    • 0032572816 scopus 로고    scopus 로고
    • A scoring scheme for discriminating between drugs and nondrugs
    • Sadowski, J.; Kubinyi, H. A scoring scheme for discriminating between drugs and nondrugs. J. Med. Chem. 1998, 41, 3325-3329.
    • (1998) J. Med. Chem. , vol.41 , pp. 3325-3329
    • Sadowski, J.1    Kubinyi, H.2
  • 8
    • 0031024171 scopus 로고    scopus 로고
    • Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
    • Lipinski, C.A.; Lombardo, F.; Dominy, B.W.; Feeney, P.J. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv. Drug Del. Rev. 1997, 23, 3-25.
    • (1997) Adv. Drug Del. Rev. , vol.23 , pp. 3-25
    • Lipinski, C.A.1    Lombardo, F.2    Dominy, B.W.3    Feeney, P.J.4
  • 11
    • 0001073278 scopus 로고    scopus 로고
    • The design of combinatorial libraries using properties and 3-D pharmacophore fingerprints
    • Beno, B.R.; Mason, J.S. The design of combinatorial libraries using properties and 3-D pharmacophore fingerprints. Drug Discuss. Today 2001, 6, 251-258.
    • (2001) Drug Discuss. Today , vol.6 , pp. 251-258
    • Beno, B.R.1    Mason, J.S.2
  • 12
    • 0034038110 scopus 로고    scopus 로고
    • A novel approach for the virtual screening and rational design of anticancer compounds
    • Estrada, E.; Uriarte, E.; Montero, A.; Teijeira, M.; Santana, L.; De Clercq, E. A novel approach for the virtual screening and rational design of anticancer compounds. J. Med. Chem. 2000, 43, 1975-1985.
    • (2000) J. Med. Chem. , vol.43 , pp. 1975-1985
    • Estrada, E.1    Uriarte, E.2    Montero, A.3    Teijeira, M.4    Santana, L.5    De Clercq, E.6
  • 13
    • 0034934377 scopus 로고    scopus 로고
    • Pharmacophore modeling and three-dimensional database searching for drug design using catalyst
    • Kurogi, Y.; Guner, O.F. Pharmacophore modeling and three-dimensional database searching for drug design using catalyst. Curr. Med. Chem. 2001, 8, 1035-1055.
    • (2001) Curr. Med. Chem. , vol.8 , pp. 1035-1055
    • Kurogi, Y.1    Guner, O.F.2
  • 14
    • 0035003411 scopus 로고    scopus 로고
    • Identification of the descriptor pharmacophores using variable selection QSAR: Applications to database mining
    • Tropsha, A.; Zhang, W.F. Identification of the descriptor pharmacophores using variable selection QSAR: applications to database mining. Curr. Pharmaceut. Des. 2001, 7, 599-612.
    • (2001) Curr. Pharmaceut. Des. , vol.7 , pp. 599-612
    • Tropsha, A.1    Zhang, W.F.2
  • 15
    • 0035002134 scopus 로고    scopus 로고
    • Virtual screening: An effective tool for lead structure discovery?
    • Langer, T.; Hoffmann, R.D. Virtual screening: An effective tool for lead structure discovery? Curr. Pharmaceut. Des. 2001, 7, 509-527.
    • (2001) Curr. Pharmaceut. Des. , vol.7 , pp. 509-527
    • Langer, T.1    Hoffmann, R.D.2
  • 17
    • 0028839283 scopus 로고
    • QSAR in toxicology. 3. Prediction of chronic toxicities
    • Cronin, M.T.D.; Dearden, J.C. QSAR in toxicology. 3. Prediction of chronic toxicities. Quant. Struct.-Act. Relat. 1995, 14, 329-334.
    • (1995) Quant. Struct.-Act. Relat. , vol.14 , pp. 329-334
    • Cronin, M.T.D.1    Dearden, J.C.2
  • 18
    • 0346166647 scopus 로고    scopus 로고
    • Virtual darwinian drug design: QSAR inverse problem, virtual combinatorial chemistry, and computational screening
    • de Julian-Ortiz, J.V. Virtual Darwinian Drug Design: QSAR inverse problem, virtual combinatorial chemistry, and computational screening. Comb. Chem. High T. Scr. 2001, 4, 295-310.
    • (2001) Comb. Chem. High T. Scr. , vol.4 , pp. 295-310
    • De Julian-Ortiz, J.V.1
  • 19
    • 0032926818 scopus 로고    scopus 로고
    • Antiseptics and disinfectants: Activity, action, and resistance
    • McDonnell, G.; Russell, A.D. Antiseptics and disinfectants: activity, action, and resistance. Clin. Microbiol. Rev. 1999, 12, 147-179.
    • (1999) Clin. Microbiol. Rev. , vol.12 , pp. 147-179
    • McDonnell, G.1    Russell, A.D.2
  • 21
    • 0034802673 scopus 로고    scopus 로고
    • Development of quantitative structure-activity relationships for the toxicity of aromatic compounds to tetrahymena pyriformis: Comparative assessment of the methodologies
    • Cronin, M.T.D.; Schultz, T.W. Development of quantitative structure-activity relationships for the toxicity of aromatic compounds to Tetrahymena pyriformis: comparative assessment of the methodologies. Chem. Res. Toxicol. 2001, 14, 1284-1295.
    • (2001) Chem. Res. Toxicol. , vol.14 , pp. 1284-1295
    • Cronin, M.T.D.1    Schultz, T.W.2
  • 22
    • 0037424608 scopus 로고    scopus 로고
    • The use of discriminant analysis, logistic regression and classification tree analysis in the development Of classification models for human health effects
    • in press
    • Worth, A.P.; Cronin, M.T.D. The use of discriminant analysis, logistic regression and classification tree analysis in the development Of classification models for human health effects. J. Mol. Struct. Theochem 2002, in press.
    • (2002) J. Mol. Struct. Theochem 2002
    • Worth, A.P.1    Cronin, M.T.D.2
  • 23
    • 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. Chem. Inf. Comput. Sci. 1988, 28, 31-36.
    • (1988) J. Chem. Inf. Comput. Sci. , vol.28 , pp. 31-36
    • Weininger, D.1
  • 26
    • 0022272070 scopus 로고
    • Partitioning and lipophilicity in quantitative structure-activity relationships
    • Dearden, J.C. Partitioning and lipophilicity in quantitative structure-activity relationships. Environ. Health Persp. 1985, 61, 203-228.
    • (1985) Environ. Health Persp. , vol.61 , pp. 203-228
    • Dearden, J.C.1
  • 28
    • 0032061265 scopus 로고    scopus 로고
    • Antimicrobial activity characterization in a heterogeneous group of compounds
    • Garcia-Domenech, R.; de Julián-Ortiz, J.V. Antimicrobial activity characterization in a heterogeneous group of compounds. J. Chem. Inf. Comput. Sci. 1998, 38, 445-449.
    • (1998) J. Chem. Inf. Comput. Sci. , vol.38 , pp. 445-449
    • Garcia-Domenech, R.1    De Julián-Ortiz, J.V.2
  • 29
    • 0035263419 scopus 로고    scopus 로고
    • Getting discriminant functions of antibacterial activity from physicochemical and topological parameters
    • Mishra, R.K.; Garcia-Domenech, R.; Galvez, J. Getting discriminant functions of antibacterial activity from physicochemical and topological parameters. J. Chem. Inf. Comput. Sci. 2001, 41, 387-393.
    • (2001) J. Chem. Inf. Comput. Sci. , vol.41 , pp. 387-393
    • Mishra, R.K.1    Garcia-Domenech, R.2    Galvez, J.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.