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1
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0005686498
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Oxford Molecular, Medawar Centre, Oxford Science Park, Oxford OX4 4GA, England
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Chem-X software; Oxford Molecular, Medawar Centre, Oxford Science Park, Oxford OX4 4GA, England.
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Chem-X Software
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2
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0000465937
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Diversity Profiling and Design Using 3D Pharmacophores. Pharmacophore-Derived Queries (PDQ)
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Pickett, S. D.; Mason, J. S.; McLay, I. M. Diversity Profiling and Design Using 3D Pharmacophores. Pharmacophore-Derived Queries (PDQ). J. Chem. Inf. Comput. Sci. 1996, 36, 1214-1223.
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Pickett, S.D.1
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0002960718
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New Perspectives in Lead Generation II: Evaluating Molecular Diversity
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Ashton, M. J.; Jaye, M. C.; Mason, J. S. New Perspectives in Lead Generation II: Evaluating Molecular Diversity. Drug Discovery Today 1996, 1, 71-78.
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Drug Discovery Today
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Ashton, M.J.1
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Drug Design Using Conformationally Flexible Molecules in 3D Databases
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Claasen, V., Ed.; Elsevier: Amsterdam
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th Noordwijkerhout-Camerino Symposium, Noordwijkerhout, The Netherlands, May 23-28, 1993; Claasen, V., Ed.; Elsevier: Amsterdam, 1993; pp 147-156.
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Mason, J.S.1
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5
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0041406392
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Experiences with Searching for Molecular Similarity in Conformationally Flexible 3D Databases
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Dean, P. M., Ed.; Blackie Academic and Professional: Glasgow
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Mason, J. S. Experiences with Searching for Molecular Similarity in Conformationally Flexible 3D Databases. In Molecular Similarity in Drug Design; Dean, P. M., Ed.; Blackie Academic and Professional: Glasgow, 1995; pp 138-162.
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Mason, J.S.1
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6
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0030534012
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Three-Dimensional Structure Database Searches
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Lipkowitz, K. B., Boyd, D. B., Eds.; VCH: New York
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Good, A. C.; Mason, J. S. Three-Dimensional Structure Database Searches. In Reviews in Computational Chemistry; Lipkowitz, K. B., Boyd, D. B., Eds.; VCH: New York, 1996; Vol. 7, pp 67-117.
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, pp. 67-117
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Good, A.C.1
Mason, J.S.2
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7
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0024239320
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Methods for Drug Discovery: Development of Potent, Selective, Orally Effective Cholecystokinin Antagonists
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8
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0028953765
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Measuring Diversity: Experimental Design of Combinatorial Libraries for Drug Discovery
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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.
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Martin, E.J.1
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Siani, M.A.3
Spellmeyer, D.C.4
Wong, A.K.5
Moos, W.H.6
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9
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13044274503
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Molecular Discovery Limited, West Way House, Elms Parade, Oxford OX2 9LL, U.K.
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Molecular Discovery Limited, West Way House, Elms Parade, Oxford OX2 9LL, U.K.
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10
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0030333470
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Three-dimensional Hydrogen-bond Geometry and Probability Information from a Crystal Survey
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Mills, J. E. J.; Dean, P. M. Three-dimensional Hydrogen-bond Geometry and Probability Information from a Crystal Survey. J. Comput.-Aided Mol. Des. 1996, 10, 607-622.
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Mills, J.E.J.1
Dean, P.M.2
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11
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13044287653
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Through a collaboration with Chemical Design [this is becoming available as the "DiR" (Design in Receptor) module of Chem-X]
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Through a collaboration with Chemical Design [this is becoming available as the "DiR" (Design in Receptor) module of Chem-X].
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12
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0032611934
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Design of Libraries to Explore Receptor Sites
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Murray, C. M.; Cato, S. J. Design of Libraries to Explore Receptor Sites. J. Chem. Inf. Comput. Sci. 1999, 39, 46-50.
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Murray, C.M.1
Cato, S.J.2
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13
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13044258013
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MDL Information Systems Inc., 14600 Catalina St., San Leandro, CA 94577
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MDL Information Systems Inc., 14600 Catalina St., San Leandro, CA 94577.
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14
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0002556215
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Partition-based Selection. Perspect
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Mason, J. S.; Pickett, S. D. Partition-based Selection. Perspect. Drug Discovery Des. 1997, 7/8, 85-114.
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Mason, J.S.1
Pickett, S.D.2
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16
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13044292944
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Daylight Chemical Information Systems, Inc., 27401 Los Altos, Suite 370, Mission Viejo, CA 92691
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Daylight Theory Manual Daylight Software 4.41; Daylight Chemical Information Systems, Inc., 27401 Los Altos, Suite 370, Mission Viejo, CA 92691.
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Daylight Theory Manual Daylight Software 4.41
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17
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15144345928
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Selective Endothelin a Receptor Antagonists. 3. Discovery and Structure - Activity Relationships of a Series of 4-Phenoxybutanoic Acid Derivatives
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Astles, P. C.; Brealey, C.; Brown, T. J.; Facchini, V.; Handscombe, C.; Harris, N. V.; McCarthy, C.; McLay, I. M.; Porter, B.; Roach, A. G.; Sargent, C.; Smith, C.; Walsh, R. J. A. Selective Endothelin A Receptor Antagonists. 3. Discovery and Structure - Activity Relationships of a Series of 4-Phenoxybutanoic Acid Derivatives. J. Med. Chem. 1998, 41, 2732-2744.
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McCarthy, C.7
McLay, I.M.8
Porter, B.9
Roach, A.G.10
Sargent, C.11
Smith, C.12
Walsh, R.J.A.13
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18
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Three-Dimensional Shape-Based Searching of Conformationally Flexible Compounds
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Hahn, M. Three-Dimensional Shape-Based Searching of Conformationally Flexible Compounds. J. Chem. Inf. Comput. Sci. 1997, 37, 80-86.
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Hahn, M.1
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The a-Addition of Immonium Ions and Anions to Isonitriles Accompanied by Secondary Reactions
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Ugi, I. The a-Addition of Immonium Ions and Anions to Isonitriles Accompanied by Secondary Reactions. Angew. Chem., Int. Ed. Engl. 1962, 1, 8-21.
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The Solution Phase Synthesis of Diketopiperazine Libraries via the Ugi Reaction: Novel Application of Armstrong's Convertible Isonitrile
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Hulme, C.; Morrissette, M. M.; Volz, F. A.; Burns, C. J. The Solution Phase Synthesis of Diketopiperazine Libraries via the Ugi Reaction: Novel Application of Armstrong's Convertible Isonitrile. Tetrahedron Lett. 1998, 39, 1113-1116.
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0032578740
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Applications of N-BOC-Diamines for the Solution Phase Synthesis of Ketopiperazine Libraries Utilizing a Ugi/De-BOC/Cyclization (UDC) Strategy
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Hulme, C.; Peng, J.; Louridas, B.; Menard, P.; Krolikowski, P.; Kumar, N. V. Applications of N-BOC-Diamines for the Solution Phase Synthesis of Ketopiperazine Libraries Utilizing a Ugi/De-BOC/Cyclization (UDC) Strategy. Tetrahedron Lett. 1998, 39, 8047-8050.
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Novel Safety-Catch Linker and its Application with a Ugi/De-BOC/Cyclization (UDC) Strategy to access Carboxylic acids, 1,4-Benzodiazepines, Diketopiperazines, Ketopiperazines and Dihydroquinoxalinones
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Hulme, C.; Peng, J.; Morton, G.; Salvino, J. M.; Herpin, T.; Labaudiniere, R. Novel Safety-Catch Linker and its Application with a Ugi/De-BOC/Cyclization (UDC) Strategy to access Carboxylic acids, 1,4-Benzodiazepines, Diketopiperazines, Ketopiperazines and Dihydroquinoxalinones. Tetrahedron Lett. 1998, 39, 7227-7230.
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25
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0030443529
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A Remarkable Two-Step Synthesis of Diverse 1,4-Benzodiazepine-2,5-diones Using the Ugi Four-Component Condensation
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Keating, T. A.; Armstrong, R. W. A Remarkable Two-Step Synthesis of Diverse 1,4-Benzodiazepine-2,5-diones Using the Ugi Four-Component Condensation. J. Org. Chem. 1996, 61, 8935-8939.
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Improved Procedure for the Solution Phase Preparation of 1,4-Benzodiazepine-2,5-dione Libraries via Armstrong's Convertible Isonitrile and the Ugi Reaction
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Hulme, C.; Tang, S.-Y.; Burns, C. J.; Morize, I.; Labaudiniere, R. Improved Procedure for the Solution Phase Preparation of 1,4-Benzodiazepine-2,5-dione Libraries via Armstrong's Convertible Isonitrile and the Ugi Reaction. J. Org. Chem. 1998, 63, 8021-8023.
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Labaudiniere, R.5
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27
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13044281117
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Available in the 4-center pharmacophore module of Chem-X software (see ref 1) from July 1997 release
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Available in the 4-center pharmacophore module of Chem-X software (see ref 1) from July 1997 release.
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13044290959
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Written by Balducci, R.; McGarity, C.; Rusinko III, A.; Skell, J.; Smith, K.; Pearlman, R. S. Laboratory for Molecular Graphics and Theoretical Modeling, College of Pharmacy, University of Texas at Austin; distributed by Tripos Inc., 1699 S. Hanley Rd, Suite 303, St. Louis, MO 63144
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Written by Balducci, R.; McGarity, C.; Rusinko III, A.; Skell, J.; Smith, K.; Pearlman, R. S. Laboratory for Molecular Graphics and Theoretical Modeling, College of Pharmacy, University of Texas at Austin; distributed by Tripos Inc., 1699 S. Hanley Rd, Suite 303, St. Louis, MO 63144.
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13044271928
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note
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3CN to 100% over 5 min; HPLC was interfaced with APCI techniques.
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