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Volumn 5, Issue 8, 2005, Pages 773-783

Web enabling technology for the design, enumeration, optimization and tracking of compound libraries

Author keywords

[No Author keywords available]

Indexed keywords

G PROTEIN COUPLED RECEPTOR;

EID: 23844556595     PISSN: 15680266     EISSN: None     Source Type: Journal    
DOI: 10.2174/1568026054637656     Document Type: Review
Times cited : (13)

References (31)
  • 1
    • 33645422481 scopus 로고    scopus 로고
    • Visual Basic: Microsoft® software; Microsoft Corporation, One Microsoft Way, Redmond, WA 98052-6399 USA
    • Visual Basic: Microsoft® software; Microsoft Corporation, One Microsoft Way, Redmond, WA 98052-6399 USA.
  • 2
    • 33645409617 scopus 로고    scopus 로고
    • SciTegic, 9665 Chesapeake Drive, Suite 401 San Diego, CA 92123-1365
    • SciTegic, 9665 Chesapeake Drive, Suite 401 San Diego, CA 92123-1365.
  • 3
    • 33645407646 scopus 로고    scopus 로고
    • Simple Object Access Protocol (SOAP) For information about the latest work on SOAP and a full list of SOAP specifications, please refer to the W3C XML Protocol Working Group and the list of W3C Technical Reports
    • Simple Object Access Protocol (SOAP) For information about the latest work on SOAP and a full list of SOAP specifications, please refer to the W3C XML Protocol Working Group and the list of W3C Technical Reports.
  • 4
    • 33645382393 scopus 로고    scopus 로고
    • For example, MDL's Reagent Selector: MDL Information Systems, Inc. San Leandro, CA, USA
    • For example, MDL's Reagent Selector: MDL Information Systems, Inc. San Leandro, CA, USA.
  • 5
    • 0028953765 scopus 로고
    • Measuring Diversity: Experimental Design of Combinatorial Libraries for Drug Discovery
    • Martin, E. J.; Blaney, J. M.; Siani, M. A.; Spellmeyer, D. C.; Wong, A. K.; Moos, W. H. Measuring Diversity: Experimental Design of Combinatorial Libraries for Drug Discovery. J. Med. Chem. 1995, 38, 1431-1436.
    • (1995) J. Med. Chem. , vol.38 , pp. 1431-1436
    • Martin, E.J.1    Blaney, J.M.2    Siani, M.A.3    Spellmeyer, D.C.4    Wong, A.K.5    Moos, W.H.6
  • 8
    • 33645381507 scopus 로고    scopus 로고
    • MDL Information Systems, Inc. San Leandro, CA, USA
    • MDL Information Systems, Inc. San Leandro, CA, USA.
  • 9
    • 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. Comp. Sci. 1988, 28(#1), 31-36.
    • (1988) J. Chem. Inf. Comp. Sci. , vol.28 , Issue.1 , pp. 31-36
    • Weininger, D.1
  • 10
    • 33645395742 scopus 로고
    • "Daylight CIS Systems Administration"
    • Daylight CIS, Inc., Irvine, CA
    • Weininger, D. and James, C. A. "Daylight CIS Systems Administration", Daylight CIS, Inc., Irvine, CA 1993.
    • (1993)
    • Weininger, D.1    James, C.A.2
  • 13
    • 0027662829 scopus 로고
    • PATTY: A programmable atom type and language for automatic classification of atoms in molecular databases
    • Bush, B. L.; Sheridan, R. P. PATTY: A programmable atom type and language for automatic classification of atoms in molecular databases. J. Chem. Inf. Comput. Sci. 1993, 33, 756-762.
    • (1993) J. Chem. Inf. Comput. Sci. , vol.33 , pp. 756-762
    • Bush, B.L.1    Sheridan, R.P.2
  • 14
    • 33645408581 scopus 로고    scopus 로고
    • MDL® Available Chemicals Directory (MDL ACD)
    • MDL® Available Chemicals Directory (MDL ACD).
  • 15
    • 0342645323 scopus 로고    scopus 로고
    • Use of Structure-Activity Data to Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection
    • Brown, R. D.; Martin, Y. C. Use of Structure-Activity Data to Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection. J. Chem. Inf. Comput. Sci. 1996, 36, 572-584.
    • (1996) J. Chem. Inf. Comput. Sci. , vol.36 , pp. 572-584
    • Brown, R.D.1    Martin, Y.C.2
  • 16
    • 0015680655 scopus 로고
    • Clustering using a similarity method based on shared nearest neighbours
    • Jarvis, R.A. and Patrick, E.A. Clustering using a similarity method based on shared nearest neighbours. IEEE Transactions on Computers C-22, 1973, 1025-1034.
    • (1973) IEEE Transactions on Computers , vol.22 C , pp. 1025-1034
    • Jarvis, R.A.1    Patrick, E.A.2
  • 17
    • 33645405357 scopus 로고
    • "Efficient methods for computing flexible similarity measures"
    • Abs. of Papers of ACS, 15-COMP
    • Weininger D. "Efficient methods for computing flexible similarity measures". Abs. of Papers of ACS, 1990, 200, 15-COMP.
    • (1990) , vol.200
    • Weininger, D.1
  • 18
    • 33645393705 scopus 로고    scopus 로고
    • Javascript: Netscape World Headquarters, P.O. BOX 7050 MOUNTAIN VIEW, CA 94039-7050
    • Javascript: Netscape World Headquarters, P.O. BOX 7050 MOUNTAIN VIEW, CA 94039-7050.
  • 19
    • 0033217178 scopus 로고    scopus 로고
    • "Implementation of a System for Reagent Selection and Library Enumeration, Profiling, and Design"
    • Leach, A.R.; Bradshaw, J.; Green, D. V. S.; Hann, M. M.; Delany, J. J. III. "Implementation of a System for Reagent Selection and Library Enumeration, Profiling, and Design". J. Chemical Inf. and Comput. Sci. 1999, 39(6), 1161-1172.
    • (1999) J. Chemical Inf. and Comput. Sci. , vol.39 , Issue.6 , pp. 1161-1172
    • Leach, A.R.1    Bradshaw, J.2    Green, D.V.S.3    Hann, M.M.4    Delany III, J.J.5
  • 20
    • 33645420486 scopus 로고    scopus 로고
    • ChemOffice®: CambridgeSoft, America Corporate Headquarters, 100 CambridgePark Drive, Cambridge, MA 02140 USA
    • ChemOffice®: CambridgeSoft, America Corporate Headquarters, 100 CambridgePark Drive, Cambridge, MA 02140 USA.
  • 21
    • 33645414579 scopus 로고    scopus 로고
    • ChemDraw®: CambridgeSoft, America Corporate Headquarters, 100 CambridgePark Drive, Cambridge, MA 02140 USA
    • ChemDraw®: CambridgeSoft, America Corporate Headquarters, 100 CambridgePark Drive, Cambridge, MA 02140 USA.
  • 22
    • 33645398804 scopus 로고    scopus 로고
    • Topological fusion of fragments for library design, Molecular Systems, Merck Research Laboratories
    • fuserk: (unpublished)
    • Kearsley, S.K. fuserk: Topological fusion of fragments for library design, Molecular Systems, Merck Research Laboratories. (unpublished).
    • Kearsley, S.K.1
  • 23
    • 33645384244 scopus 로고    scopus 로고
    • Available from Daylight Chemical Information Systems, Inc. (27401 Los Altos, Suite 360, Mission Viejo, CA 92691
    • Available from Daylight Chemical Information Systems, Inc. (27401 Los Altos, Suite 360, Mission Viejo, CA 92691; http://www.daylight.com).
  • 24
    • 33645405614 scopus 로고    scopus 로고
    • Stream based molecular addition tool for all types of molecular/atomic data. Molecular Systems, Merck Research Laboratories
    • add: (unpublished)
    • Culberson, J.C. add: Stream based molecular addition tool for all types of molecular/atomic data. Molecular Systems, Merck Research Laboratories (unpublished).
    • Culberson, J.C.1
  • 25
    • 0035324941 scopus 로고    scopus 로고
    • "Comparison of Knowledge-Based and Distance Geometry Approaches for Generation of Molecular Conformations"
    • Feuston, B. P.; Miller, M. D.; Culberson, J. C.; Nachbar, R. B. and Kearsley, S. K. "Comparison of Knowledge-Based and Distance Geometry Approaches for Generation of Molecular Conformations". J. Chem. Inf. Comput. Sci. 2001, 41, 754-763.
    • (2001) J. Chem. Inf. Comput. Sci. , vol.41 , pp. 754-763
    • Feuston, B.P.1    Miller, M.D.2    Culberson, J.C.3    Nachbar, R.B.4    Kearsley, S.K.5
  • 26
    • 0033606945 scopus 로고    scopus 로고
    • "Virtual Combinatorial Syntheses and Computational Screening of New Potential Anti-Herpes Compounds"
    • Julián-Ortiz, J.V.; Gálvez, J.; Muñoz-Collado, C.; García-Domenech, R. and Gimeno-Cardona, C. "Virtual Combinatorial Syntheses and Computational Screening of New Potential Anti-Herpes Compounds". J. Med. Chem., 1999, 42(17), 3308-3314.
    • (1999) J. Med. Chem. , vol.42 , Issue.17 , pp. 3308-3314
    • Julián-Ortiz, J.V.1    Gálvez, J.2    Muñoz-Collado, C.3    García-Domenech, R.4    Gimeno-Cardona, C.5
  • 27
    • 33645385662 scopus 로고    scopus 로고
    • Scalable Vector Graphics: World Wide Web Consortium Process Document, 8 February
    • Scalable Vector Graphics: World Wide Web Consortium Process Document, 8 February 2001.
    • (2001)
  • 28
    • 33645384476 scopus 로고    scopus 로고
    • MDL Drug Data Report version 2 is distributed by Molecular Design Ltd., San Leandro, CA
    • MDL Drug Data Report version 2 is distributed by Molecular Design Ltd., San Leandro, CA 2002.
    • (2002)
  • 29
    • 84988109729 scopus 로고
    • "Atomic physicochemical parameters for three-dimensional structure-directed quantitative structure-activity relationships. I. Partition coefficients as a measure of hydrophobicity"
    • Ghose, A. K. Crippen, G. M. "Atomic physicochemical parameters for three-dimensional structure-directed quantitative structure-activity relationships. I. Partition coefficients as a measure of hydrophobicity". J. Comput. Chem. 1986, 7, 565-577.
    • (1986) J. Comput. Chem. , vol.7 , pp. 565-577
    • Ghose, A.K.1    Crippen, G.M.2
  • 30
    • 33645418724 scopus 로고    scopus 로고
    • Molecular Systems
    • Merck Research Laboratories (unpublished)
    • Culberson, J.C. Molecular Systems, Merck Research Laboratories (unpublished).
    • Culberson, J.C.1
  • 31
    • 0032811868 scopus 로고    scopus 로고
    • "Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 2. Prediction of blood-brain barrier penetration"
    • Clark, D. E. "Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 2. Prediction of blood-brain barrier penetration". J. Pharm. Sci. 1999, 88, 815-821.
    • (1999) J. Pharm. Sci. , vol.88 , pp. 815-821
    • Clark, D.E.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.