-
1
-
-
19944422452
-
Key aspects of the Novartis compound collection enhancement project for the compilation of a comprehensive chemogenomics drug discovery screening collection
-
DOI 10.2174/1568026053828376
-
Jacoby, E.; Schuffenhauer, A.; Popov, M.; Azzaoui, K.; Havill, B.; Schopfer, U.; Engeloch, C.; Stanek, J.; Acklin, P.; Rigollier, P.; Stoll, F.; Koch, G.; Meier, P.; Orain, D.; Giger, R.; Hinrichs, J.; Malagu, K.; Zimmermann, J.; Roth, H.-J. Key aspects of the Novartis compound collection enhancement project for the compilation of a comprehensive chemogenomics drug discovery screening collection Curr. Top. Med. Chem. 2005, 5, 397-411 (Pubitemid 40753876)
-
(2005)
Current Topics in Medicinal Chemistry
, vol.5
, Issue.4
, pp. 397-411
-
-
Jacoby, E.1
Schuffenhauer, A.2
Popov, M.3
Azzaoui, K.4
Havill, B.5
Schopfer, U.6
Engeloch, C.7
Stanek, J.8
Acklin, P.9
Rigollier, P.10
Stoll, F.11
Koch, G.12
Meier, P.13
Orain, D.14
Giger, R.15
Hinrichs, J.16
Malagu, K.17
Zimmermann, J.18
Roth, H.-J.19
-
2
-
-
9344242435
-
Molecular diversity management strategies for building and enhancement of diverse and focused lead discovery compound screening collections
-
DOI 10.2174/1386207043328238
-
Schuffenhauer, A.; Popov, M.; Schopfer, U.; Acklin, P.; Stanek, J.; Jacoby, E. Molecular diversity management strategies for building and enhancement of diverse and focused lead discovery compound screening collections Comb. Chem. High Throughput Screening 2004, 7, 771-781 (Pubitemid 39556977)
-
(2004)
Combinatorial Chemistry and High Throughput Screening
, vol.7
, Issue.8
, pp. 771-781
-
-
Schuffenhauer, A.1
Popov, M.2
Schopfer, U.3
Acklin, P.4
Stanek, J.5
Jacoby, E.6
-
3
-
-
77952583878
-
Enhancements of screening collections to address areas of unmet medical need: An industry perspective
-
Drewry, D. H.; Macarron, R. Enhancements of screening collections to address areas of unmet medical need: an industry perspective Curr. Opin. Chem. Biol. 2010, 14 (3) 289-298
-
(2010)
Curr. Opin. Chem. Biol.
, vol.14
, Issue.3
, pp. 289-298
-
-
Drewry, D.H.1
MacArron, R.2
-
4
-
-
75749105013
-
Drug and drug candidate building block analysis
-
Wang, J.; Hou, T. Drug and drug candidate building block analysis J. Chem. Inf. Model. 2010, 50, 55-67
-
(2010)
J. Chem. Inf. Model.
, vol.50
, pp. 55-67
-
-
Wang, J.1
Hou, T.2
-
5
-
-
77952477596
-
Privileged scaffolds for library design and drug discovery
-
Welsch, M. E.; Snyder, S. A.; Stockwell, B. R. Privileged scaffolds for library design and drug discovery Curr. Opin. Chem. Biol. 2010, 14 (3) 347-361
-
(2010)
Curr. Opin. Chem. Biol.
, vol.14
, Issue.3
, pp. 347-361
-
-
Welsch, M.E.1
Snyder, S.A.2
Stockwell, B.R.3
-
6
-
-
0032058905
-
RECAP - Retrosynthetic Combinatorial Analysis Procedure: A powerful new technique for identifying privileged molecular fragments with useful applications in combinatorial chemistry
-
Lewell, X. Q.; Judd, D. B.; Watson, S. P.; Hann, M. M. RECAP-retrosynthetic combinatorial analysis procedure: a powerful new technique for identifying privileged molecular fragments with useful applications in combinatorial chemistry J. Chem. Inf. Comput. Sci. 1998, 38, 511-522 (Pubitemid 128594467)
-
(1998)
Journal of Chemical Information and Computer Sciences
, vol.38
, Issue.3
, pp. 511-522
-
-
Lewell, X.Q.1
Judd, D.B.2
Watson, S.P.3
Hann, M.M.4
-
7
-
-
79955002010
-
Data-mining patent literature for novel chemical reagents for use in medicinal chemistry design
-
Kettle, J. G.; Ward, R. A.; Griffen, E. Data-mining patent literature for novel chemical reagents for use in medicinal chemistry design Med. Chem. Commun. 2010, 1, 331-338
-
(2010)
Med. Chem. Commun.
, vol.1
, pp. 331-338
-
-
Kettle, J.G.1
Ward, R.A.2
Griffen, E.3
-
8
-
-
65649142070
-
Heteroaromatic rings of the future
-
Pitt, W. R.; Parry, D. M.; Perry, B. G.; Groom, C. R. Heteroaromatic rings of the future J. Med. Chem. 2009, 52 (9) 2952-2963
-
(2009)
J. Med. Chem.
, vol.52
, Issue.9
, pp. 2952-2963
-
-
Pitt, W.R.1
Parry, D.M.2
Perry, B.G.3
Groom, C.R.4
-
9
-
-
77951983285
-
Towards the comprehensive systematic enumeration and synthesis of novel kinase inhibitors based on a 4-anilinoquinazoline binding mode
-
Kettle, J. G.; Ward, R. A. Towards the comprehensive systematic enumeration and synthesis of novel kinase inhibitors based on a 4-anilinoquinazoline binding mode J. Chem. Inf. Model. 2010, 50 (4) 525-533
-
(2010)
J. Chem. Inf. Model.
, vol.50
, Issue.4
, pp. 525-533
-
-
Kettle, J.G.1
Ward, R.A.2
-
10
-
-
0029988211
-
BOOMSLANG: A program for combinatorial structure generation
-
DOI 10.1016/0263-7855(95)00040-2
-
Cosgrove, D. A.; Kenny, P. W. BOOMSLANG: a program for combinatorial structure generation J. Mol Graphics 1996, 14 (2) 1-5 (Pubitemid 26152969)
-
(1996)
Journal of Molecular Graphics
, vol.14
, Issue.1
, pp. 1-5
-
-
Cosgrove, D.A.1
Kenny, P.W.2
-
11
-
-
33745079610
-
Analysis of the reactions used for the preparation of drug candidate molecules
-
Carey, J. S.; Laffan., D.; Thomson, C.; Williams, M. T. Analysis of the reactions used for the preparation of drug candidate molecules Org. Biomol. Chem. 2006, 4, 2336-2347
-
(2006)
Org. Biomol. Chem.
, vol.4
, pp. 2336-2347
-
-
Carey, J.S.1
Laffan, D.2
Thomson, C.3
Williams, M.T.4
-
12
-
-
78249273274
-
-
Cooper, T. W. J.; Campbell, I. B.; Macdonald, S. J. F. Angew. Chem., Int. Ed. 2010, 49, 8082-8091
-
(2010)
Angew. Chem., Int. Ed.
, vol.49
, pp. 8082-8091
-
-
Cooper, T.W.J.1
Campbell, I.B.2
MacDonald, S.J.F.3
-
13
-
-
33750976700
-
Matched molecular pairs as a guide in the optimization of pharmaceutical properties; a study of aqueous solubility, plasma protein binding and oral exposure
-
DOI 10.1021/jm0605233
-
Leach, G. A.; Jones, H. D.; Cosgrove, D. A.; Kenny, P. W.; Ruston, L; MacFaul, P. J.; Wood, M.; Colclough, N.; Law, B. Matched molecular pairs as a guide in the optimization of pharmaceutical properties: a study of aqueous solubility, plasma protein binding and oral exposure J. Med. Chem. 2006, 49 (23) 6672-6682 (Pubitemid 44749735)
-
(2006)
Journal of Medicinal Chemistry
, vol.49
, Issue.23
, pp. 6672-6682
-
-
Leach, A.G.1
Jones, H.D.2
Cosgrove, D.A.3
Kenny, P.W.4
Ruston, L.5
MacFaul, P.6
Wood, J.M.7
Colclough, N.8
Law, B.9
-
14
-
-
79960197157
-
-
Symyx. Available Chemicals Directory. Version 2010.02. (accessed July 1).
-
Symyx. Available Chemicals Directory. Version 2010.02. http://www.symyx.com/products/databases/sourcing/acd/index.jsp (accessed July 1, 2010).
-
(2010)
-
-
-
15
-
-
79960160024
-
-
National Centre For Biotechnology Information. PubChem. (accessed Mar 4).
-
National Centre For Biotechnology Information. PubChem. http://pubchem.ncbi.nlm.nih.gov (accessed Mar 4, 2011).
-
(2011)
-
-
-
16
-
-
79960152830
-
-
ChemSpider. (accessed Mar 4).
-
ChemSpider. http://www.chemspider.com (accessed Mar 4, 2011).
-
(2011)
-
-
-
17
-
-
79960168135
-
-
eMolecules. (accessed Mar 4).
-
eMolecules. http://www.emolecules.com (accessed Mar 4, 2011).
-
(2011)
-
-
-
18
-
-
79960184683
-
-
Prous Integrity. (accessed Mar 4).
-
Prous Integrity. http://thomsonreuters.com/products-services/science/ science-products/a-z/integrity (accessed Mar 4, 2011).
-
(2011)
-
-
-
19
-
-
61749093196
-
ChEMBL. An interview with John Overington, team leader, chemogenomics at the European Bioinformatics Institute Outstation of the European Molecular Biology Laboratory (EMBL-EBI)
-
Warr, W. A. ChEMBL. An interview with John Overington, team leader, chemogenomics at the European Bioinformatics Institute Outstation of the European Molecular Biology Laboratory (EMBL-EBI) J. Comput.-Aided Mol. Des. 2009, 23 (4) 195-198
-
(2009)
J. Comput.-Aided Mol. Des.
, vol.23
, Issue.4
, pp. 195-198
-
-
Warr, W.A.1
-
20
-
-
38549151817
-
DrugBank: A knowledgebase for drugs, drug actions and drug targets
-
(Small Molecule Structures, version 2.5)
-
Wishart, D. S.; Knox, C.; Guo, A. C.; Cheng, D.; Shrivastava, S.; Tzur, D.; Gautam, B.; Hassanali, M. DrugBank: a knowledgebase for drugs, drug actions and drug targets Nucleic Acids Res. 2008, 36, D901-D906 (Small Molecule Structures, version 2.5)
-
(2008)
Nucleic Acids Res.
, vol.36
-
-
Wishart, D.S.1
Knox, C.2
Guo, A.C.3
Cheng, D.4
Shrivastava, S.5
Tzur, D.6
Gautam, B.7
Hassanali, M.8
-
21
-
-
79960189811
-
-
GVKBio Databases. (accessed Mar 4).
-
GVKBio Databases. http://www.gvkbio.com (accessed Mar 4, 2011).
-
(2011)
-
-
-
22
-
-
67650924493
-
Design of compound libraries for fragment screening
-
Blomberg, N.; Cosgrove, D. A.; Kenny, P. W.; Kolmodin, K. Design of compound libraries for fragment screening J. Comput.-Aided Mol. Des. 2009, 23 (8) 513-525
-
(2009)
J. Comput.-Aided Mol. Des.
, vol.23
, Issue.8
, pp. 513-525
-
-
Blomberg, N.1
Cosgrove, D.A.2
Kenny, P.W.3
Kolmodin, K.4
-
23
-
-
0024664539
-
SMILES. 2. Algorithm for generation of unique SMILES notation
-
Weininger, D.; Weininger, A.; Weininger, J. L. SMILES. 2. Algorithm for generation of unique SMILES notation J. Chem. Inf. Comput. Sci. 1989, 29, 97-101
-
(1989)
J. Chem. Inf. Comput. Sci.
, vol.29
, pp. 97-101
-
-
Weininger, D.1
Weininger, A.2
Weininger, J.L.3
-
24
-
-
79960170103
-
-
Openeye Scientific Software. OEChem Toolkit (version 1.7.0). (accessed Nov 1).
-
Openeye Scientific Software. OEChem Toolkit (version 1.7.0). http://www.eyesopen.com/docs/docs-v1.7.0-2/html/OEChemTK-python/aromaticity. html (accessed Nov 1, 2010).
-
(2010)
-
-
-
25
-
-
79960189810
-
-
Daylight Chemical Information Systems, Inc. Daylight Theory Manual. (accessed Nov 1).
-
Daylight Chemical Information Systems, Inc. Daylight Theory Manual. http://www.daylight.com/dayhtml/doc/theory/index.html (accessed Nov 1, 2010).
-
(2010)
-
-
-
26
-
-
79960156545
-
-
In-house software developed by Dave A. Cosgrove (unpublished results).
-
In-house software developed by Dave A. Cosgrove (unpublished results).
-
-
-
-
27
-
-
79960180163
-
-
Openeye Scientific Software. OEChem Toolkit (version 1.7.0). (accessed Nov 1).
-
Openeye Scientific Software. OEChem Toolkit (version 1.7.0). http://www.eyesopen.com/docs/docs-v1.7.0-2/html/OEChemTK-python/ring.html (accessed Nov 1, 2010).
-
(2010)
-
-
|