-
1
-
-
33845733217
-
-
Stock Exchange Tower, 800 Place Victoria, (Suite 1700), P.O. Box 120, Montreal, Quebec H4Z 1B7, Canada, (accessed Oct 7, 2005)
-
World Anti-Doping Agency (WADA), Stock Exchange Tower, 800 Place Victoria, (Suite 1700), P.O. Box 120, Montreal, Quebec H4Z 1B7, Canada, http://www.wada-ama.org/ (accessed Oct 7, 2005).
-
-
-
-
2
-
-
0041871139
-
-
Wilson, W., Derse, E., Eds.; Human Kinetics, Champaign, IL, U.S.A., Chapter 1
-
Todd, J.; Todd, T. In Doping in Elite Sport: The Politics of Drugs in the Olympic Movement; Wilson, W., Derse, E., Eds.; Human Kinetics, Champaign, IL, U.S.A., 2001; Chapter 1, pp 65-128.
-
(2001)
Doping in Elite Sport: the Politics of Drugs in the Olympic Movement
, pp. 65-128
-
-
Todd, J.1
Todd, T.2
-
3
-
-
0016524085
-
Detection of anabolic steroids by radioimmunoassay
-
Brooks, R. V.; Firth, R. G.; Sumner, N. A. Detection of anabolic steroids by radioimmunoassay. Br. J. Sports Med. 1975, 9, 89-92.
-
(1975)
Br. J. Sports Med.
, vol.9
, pp. 89-92
-
-
Brooks, R.V.1
Firth, R.G.2
Sumner, N.A.3
-
4
-
-
2442557871
-
Tetrahydrogestrinone is a potent androgen and progestin
-
Death, A. K.; McGrath, K. C. Y.; Kazlauskas, R.; Handelsman, D. J. Tetrahydrogestrinone is a potent androgen and progestin. J. Clin. Endocrin. Metab. 2004, 89, 2498-2500.
-
(2004)
J. Clin. Endocrin. Metab.
, vol.89
, pp. 2498-2500
-
-
Death, A.K.1
McGrath, K.C.Y.2
Kazlauskas, R.3
Handelsman, D.J.4
-
5
-
-
10344230435
-
Molecular similarity: A key technique in molecular informatics
-
Bender, A.; Glen, R. C. Molecular similarity: a key technique in molecular informatics. Org. Biomol. Chem. 2004, 2, 3204-3218.
-
(2004)
Org. Biomol. Chem.
, vol.2
, pp. 3204-3218
-
-
Bender, A.1
Glen, R.C.2
-
6
-
-
77956726346
-
Molecular similarity: Advances in methods, applications and validations in virtual screening and QSAR
-
Bender, A.; Jenkins, J. L.; Li, Q.; Adams, S. E.; Cannon, E. O.; Glen, R. C. Molecular Similarity: Advances in Methods, Applications and Validations in Virtual Screening and QSAR. Annu. Rep. Comput. Chem. 2006, 2, 145-173.
-
(2006)
Annu. Rep. Comput. Chem.
, vol.2
, pp. 145-173
-
-
Bender, A.1
Jenkins, J.L.2
Li, Q.3
Adams, S.E.4
Cannon, E.O.5
Glen, R.C.6
-
7
-
-
33845789688
-
-
2440 Camino Ramon, San Ramon, CA 94583, U.S.A. (accessed June 14, 2006)
-
Elsevier MDL, 2440 Camino Ramon, San Ramon, CA 94583, U.S.A. http://www.mdli.com (accessed June 14, 2006).
-
-
-
-
8
-
-
0028496956
-
Similarity searching and clustering of chemical-structure databases using molecular property data
-
Downs, G. M.; Willett, P.; Fisanick, W. Similarity Searching and Clustering of Chemical-Structure Databases Using Molecular Property Data. J. Chem. Inf. Comput. Sci. 1994, 34, 1094-1102.
-
(1994)
J. Chem. Inf. Comput. Sci.
, vol.34
, pp. 1094-1102
-
-
Downs, G.M.1
Willett, P.2
Fisanick, W.3
-
9
-
-
0035159445
-
Recent advances on the role of topological indices in drug discovery research
-
Estrada, E.; Uriarte, E. Recent advances on 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
-
10
-
-
0035003352
-
3-D pharmacophores in drug discovery
-
Mason, J. S.; Good, A. C.; Martin, E. J. 3-D pharmacophores in drug discovery. Curr. Pharm. Des. 2001, 7, 567-597.
-
(2001)
Curr. Pharm. Des.
, vol.7
, pp. 567-597
-
-
Mason, J.S.1
Good, A.C.2
Martin, E.J.3
-
11
-
-
33845743520
-
-
1699 South Hanley Road, St. Louis, MO 63144-2319. U.S.A. (accessed June 14, 2006)
-
Tripos, Inc., 1699 South Hanley Road, St. Louis, MO 63144-2319. U.S.A. http://www.tripos.com (accessed June 14, 2006).
-
-
-
-
12
-
-
0000892020
-
Clustering large databases of compounds using the MDL "Keys" as structural descriptors
-
McGregor, M. J.; Pallai, P. V. Clustering large databases of compounds using the MDL "Keys" as structural descriptors. J. Chem. Inf. Comput. Sci. 1997, 37, 443-448.
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 443-448
-
-
McGregor, M.J.1
Pallai, P.V.2
-
13
-
-
33845758578
-
-
Suite 910, 1010 Sherbrooke St. W, Montreal, Quebec H3A 2R7, Canada. (accessed June 14, 2006)
-
Chemical Computing Group, Suite 910, 1010 Sherbrooke St. W, Montreal, Quebec H3A 2R7, Canada. http://www.chemComp.com (accessed June 14, 2006).
-
-
-
-
14
-
-
1842690601
-
Molecular similarity searching using atom environments, information-based feature selection and a Naïve Bayesian classifier
-
Bender, A.; Mussa, H. Y.; Glen, R. C.; Reiling, S. Molecular Similarity Searching using Atom Environments, Information-Based Feature Selection and a Naïve Bayesian Classifier. J. Chem. Inf. Comput. Sci. 2004, 44, 170-178.
-
(2004)
J. Chem. Inf. Comput. Sci.
, vol.44
, pp. 170-178
-
-
Bender, A.1
Mussa, H.Y.2
Glen, R.C.3
Reiling, S.4
-
15
-
-
5544290537
-
Similarity searching of chemical databases using atom environment descriptors (MOLPRINT 2D): Evaluation of performance
-
Bender, A.; Mussa, H. Y.; Glen, R. C.; Reiling, S. Similarity Searching of Chemical Databases Using Atom Environment Descriptors (MOLPRINT 2D): Evaluation of Performance. J. Chem. Inf. Comput. Sci. 2004, 44, 1708-1718.
-
(2004)
J. Chem. Inf. Comput. Sci.
, vol.44
, pp. 1708-1718
-
-
Bender, A.1
Mussa, H.Y.2
Glen, R.C.3
Reiling, S.4
-
16
-
-
0028495062
-
Stochastic generator of chemical structure. 1. Application to the structure elucidation of large molecules
-
Faulon, J.-L. Stochastic Generator of Chemical Structure. 1. Application to the Structure Elucidation of Large Molecules. J. Chem. Inf. Comput. Sci. 1994, 34, 1204-1218.
-
(1994)
J. Chem. Inf. Comput. Sci.
, vol.34
, pp. 1204-1218
-
-
Faulon, J.-L.1
-
17
-
-
0035478854
-
Random forests
-
Breiman, L. Random Forests. Machine Learning 2001, 45, 5-32.
-
(2001)
Machine Learning
, vol.45
, pp. 5-32
-
-
Breiman, L.1
-
19
-
-
33845782076
-
-
The list of 367 explicitly allowed substances was downloaded from the Web site of the (accessed Mar 27, 2006)
-
The list of 367 explicitly allowed substances was downloaded from the Web site of the Canadian Centre for Ethics in Sport. http://www.cces.ca/pdfs/CCES- PUB-SubstanceClassification-E.pdf. (accessed Mar 27, 2006).
-
-
-
-
20
-
-
5344244908
-
Chemical similarity searching
-
Willett, P.; Barnard, J. M.; Downs, G. M. Chemical similarity searching. J. Chem. Inf. Comput. Sci. 1998, 38, 983-996.
-
(1998)
J. Chem. Inf. Comput. Sci.
, vol.38
, pp. 983-996
-
-
Willett, P.1
Barnard, J.M.2
Downs, G.M.3
-
22
-
-
0023965741
-
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
-
24
-
-
33845775819
-
An introduction to support vector machines for data mining
-
Nottingham, U.K., (accessed Jan 9, 2006)
-
Burbridge, R.; Buxton, B. An Introduction to Support Vector Machines for Data Mining, YOR12 Conference, Nottingham, U.K., 2001. http://www.orsoc.org.uk/ conf/previous/yor12/streams/yor12_data_mining.htm. (accessed Jan 9, 2006).
-
(2001)
YOR12 Conference
-
-
Burbridge, R.1
Buxton, B.2
-
25
-
-
0345548657
-
Random forest: A classification and regression tool for compound classification and QSAR modeling
-
Svetnik, V.; Liaw, A.; Tong, C.; Culberson, J. C.; Sheridan, R. P.; Feuston, B. P. Random Forest: A Classification and Regression Tool for Compound Classification and QSAR Modeling. J. Chem. Inf. Comput. Sci. 2003, 43, 1947-1958.
-
(2003)
J. Chem. Inf. Comput. Sci.
, vol.43
, pp. 1947-1958
-
-
Svetnik, V.1
Liaw, A.2
Tong, C.3
Culberson, J.C.4
Sheridan, R.P.5
Feuston, B.P.6
-
26
-
-
2642574503
-
-
R Development Core Team R. Vienna. Austria ISBN 3-900051-07-0. (accessed June 14, 2006)
-
R Development Core Team R. A language and environment for statistical computing. R Foundation for Statistical Computing: Vienna. Austria, 2005; ISBN 3-900051-07-0. http://www.R-project.org (accessed June 14, 2006).
-
(2005)
A Language and Environment for Statistical Computing
-
-
-
27
-
-
20444407285
-
K Nearest neighbors QSAR modeling as a variational problem: Theory and applications
-
Itskowitz, P.; Tropsha, A. k Nearest Neighbors QSAR modeling as a variational problem: Theory and applications. J. Chem. Inf. Model. 2005, 45, 777-785.
-
(2005)
J. Chem. Inf. Model.
, vol.45
, pp. 777-785
-
-
Itskowitz, P.1
Tropsha, A.2
-
28
-
-
33845736067
-
-
Ph.D. thesis, University of Cambridge, U.K.
-
Bender, A. Ph.D. thesis, University of Cambridge, U.K., 2005.
-
(2005)
-
-
Bender, A.1
-
29
-
-
0033931867
-
Assessing the accuracy of prediction algorithms for classification: An overview
-
Baldi, P.; Brunak, S.; Chauvin, Y.; Andersen, C. A. F.; Nielsen, H. Assessing the accuracy of prediction algorithms for classification: an overview. Bioinformatics 2000, 16, 412-424.
-
(2000)
Bioinformatics
, vol.16
, pp. 412-424
-
-
Baldi, P.1
Brunak, S.2
Chauvin, Y.3
Andersen, C.A.F.4
Nielsen, H.5
-
30
-
-
0030585734
-
Evaluation of gene structure prediction programs
-
Burset, M.; Guigo, R. Evaluation of gene structure prediction programs. Genomics 1996, 34, 353-367.
-
(1996)
Genomics
, vol.34
, pp. 353-367
-
-
Burset, M.1
Guigo, R.2
-
31
-
-
0032028927
-
A fair method for resetting the target in interrupted one-day cricket matches
-
Duckworth, F. C.; Lewis, A. J. A fair method for resetting the target in interrupted one-day cricket matches. J. Oper. Res. Soc. 1998, 49, 220-227.
-
(1998)
J. Oper. Res. Soc.
, vol.49
, pp. 220-227
-
-
Duckworth, F.C.1
Lewis, A.J.2
-
32
-
-
33644862638
-
Scaffold hopping through virtual screening using 2D and 3D similarity descriptors: Ranking, voting, and consensus scoring
-
Zhang, Q.; Muegge, I. Scaffold Hopping through Virtual Screening Using 2D and 3D Similarity Descriptors: Ranking, Voting, and Consensus Scoring. J. Med. Chem. 2006, 49, 1536-1548.
-
(2006)
J. Med. Chem.
, vol.49
, pp. 1536-1548
-
-
Zhang, Q.1
Muegge, I.2
|