-
1
-
-
33847207834
-
Molecular similarity analysis in virtual screening: Foundations, limitations and novel approaches
-
Eckert, H.; Bajorath, J. Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches. Drug Discovery Today 2007, 12, 225-233.
-
(2007)
Drug Discovery Today
, vol.12
, pp. 225-233
-
-
Eckert, H.1
Bajorath, J.2
-
2
-
-
77649220192
-
Current trends in ligand-based virtual screening: Molecular representations, data mining methods, new application areas, and performance evaluation
-
Geppert, H.; Vogt, M.; Bajorath, J. Current Trends in Ligand-Based Virtual Screening: Molecular Representations, Data Mining Methods, New Application Areas, and Performance Evaluation. J. Chem. Inf. Model. 2010, 50, 205-216.
-
(2010)
J. Chem. Inf. Model
, vol.50
, pp. 205-216
-
-
Geppert, H.1
Vogt, M.2
Bajorath, J.3
-
3
-
-
34447515227
-
Chemical similarity searches: When is complexity justified?
-
DOI 10.1517/17460441.2.4.423
-
Sheridan, R. P. Chemical similarity searches: When is complexity justified. Expert Opin. Drug Discovery 2007, 2, 423-430. (Pubitemid 47073070)
-
(2007)
Expert Opinion on Drug Discovery
, vol.2
, Issue.4
, pp. 423-430
-
-
Sheridan, R.P.1
-
4
-
-
33751246188
-
Similarity-based virtual screening using 2D fingerprints
-
DOI 10.1016/j.drudis.2006.10.005, PII S1359644606004193
-
Willett, P. Similarity-based virtual screening using 2D fingerprints. Drug Discovery Today 2006, 11, 1046-1053. (Pubitemid 44792477)
-
(2006)
Drug Discovery Today
, vol.11
, Issue.23-24
, pp. 1046-1053
-
-
Willett, P.1
-
5
-
-
57849168939
-
Similarity methods in chemoinformatics
-
Willett, P. Similarity Methods in Chemoinformatics. Ann. Rev. Inf. Sci. Technol. 2009, 43, 3-71.
-
(2009)
Ann. Rev. Inf. Sci. Technol.
, vol.43
, pp. 3-71
-
-
Willett, P.1
-
7
-
-
84976820543
-
In inference networks for document retrieval
-
Brussels, Belgium, September 5-7, 1990 Association for Computing Machinery: New York
-
Turtle, H.; Croft, W. B. In Inference Networks for Document Retrieval, Proceedings of the 13th Annual International ACM SIGIR Conference on Research and Development in Information Retrieval, Brussels, Belgium, September 5-7, 1990 Association for Computing Machinery: New York, 1990.
-
(1990)
Proceedings of the 13th Annual International ACM SIGIR Conference on Research and Development in Information Retrieval
-
-
Turtle, H.1
Croft, W.B.2
-
8
-
-
84976772064
-
Evaluation of an inference network-based retrieval model
-
Turtle, H.; Croft, W. B. Evaluation of an Inference Network-Based Retrieval Model. ACM Trans. Inf. Syst. 1991, 9, 187-222.
-
(1991)
ACM Trans. Inf. Syst.
, vol.9
, pp. 187-222
-
-
Turtle, H.1
Croft, W.B.2
-
9
-
-
62949109458
-
In inference networks for chemical similarity searching
-
Phuket, Thailand, December 20-22, 2008; IEEE Computer Society: los Alamitos, CA
-
Abdo, A.; Salim, N. In Inference Networks for Chemical Similarity Searching, Proceedings of the International Conference on Advanced Computer Theory and Engineering, Phuket, Thailand, December 20-22, 2008; IEEE Computer Society: los Alamitos, CA, 2008; pp 408-412.
-
(2008)
Proceedings of the International Conference on Advanced Computer Theory and Engineering
, pp. 408-412
-
-
Abdo, A.1
Salim, N.2
-
10
-
-
60849101543
-
Similarity-based virtual screening with a bayesian inference network
-
Abdo, A.; Salim, N. Similarity-Based Virtual Screening with a Bayesian Inference Network. ChemMedChem 2009, 4, 210-218.
-
(2009)
ChemMedChem
, vol.4
, pp. 210-218
-
-
Abdo, A.1
Salim, N.2
-
11
-
-
67949095941
-
Similarity-based virtual screening using Bayesian inference network: Enhanced search using 2D fingerprints and multiple reference structures
-
Abdo, A.; Salim, N. Similarity-Based Virtual Screening Using Bayesian Inference Network: Enhanced Search Using 2D Fingerprints and Multiple Reference Structures. QSAR Comb. Sci. 2009, 28, 654-663.
-
(2009)
QSAR Comb. Sci.
, vol.28
, pp. 654-663
-
-
Abdo, A.1
Salim, N.2
-
12
-
-
74049116938
-
Evaluation of a Bayesian inference network for ligand-based virtual screening
-
DOI: 10.1186/1758-2946-1-5. Accessed November 19
-
Chen, B.; Mueller, C.; Willett, P. Evaluation of a Bayesian inference network for ligand-based virtual screening. J. Cheminf. 2009, 1(5); http://www.jcheminf.com/content/1/1/5; DOI: 10.1186/1758-2946-1-5. Accessed November 19, 2010.
-
(2009)
J. Cheminf
, vol.1
, Issue.5
-
-
Chen, B.1
Mueller, C.2
Willett, P.3
-
13
-
-
77954043914
-
Ligand-based virtual screening using Bayesian networks
-
Abdo, A.; Chen, B.; Mueller, C.; Salim, N.; Willett, P. Ligand-Based Virtual Screening Using Bayesian Networks. J. Chem. Inf. Model. 2010, 50, 1012-1020.
-
(2010)
J. Chem. Inf. Model
, vol.50
, pp. 1012-1020
-
-
Abdo, A.1
Chen, B.2
Mueller, C.3
Salim, N.4
Willett, P.5
-
15
-
-
0347182773
-
Textual and chemical information retrieval: Different domains but similar algorithms
-
Accessed November 19, 2010
-
Willett, P. Textual and chemical information retrieval: different domains but similar algorithms. Inf. Research 2000, 5; http://informationr.net/ir/5-2/ paper69.html. Accessed November 19, 2010.
-
(2000)
Inf. Research
, pp. 5
-
-
Willett, P.1
-
16
-
-
79952601401
-
In molecular similarity searching using inference network
-
Salt Lake City, UT, March 22-26, 2009; American Chemical Society: Washington, DC
-
Abdo, A.; Salim, N. In Molecular Similarity Searching Using Inference Network, Proceedings of the 237th ACS National Meeting of the American Chemical Society, Salt Lake City, UT, March 22-26, 2009; American Chemical Society: Washington, DC, 2009.
-
(2009)
Proceedings of the 237th ACS National Meeting of the American Chemical Society
-
-
Abdo, A.1
Salim, N.2
-
17
-
-
0029304653
-
TREC and TIPSTER experiments with InQuery
-
Callan, J. P.; Croft, W. B.; Broglio, J. TREC and TIPSTER experiments with InQuery. Inf. Process. Manage. 1995, 31, 327-343.
-
(1995)
Inf. Process. Manage
, vol.31
, pp. 327-343
-
-
Callan, J.P.1
Croft, W.B.2
Broglio, J.3
-
18
-
-
84966534942
-
In some simple effective approximations to the 2-poisson model for probabilistic weighted retrieval
-
Dublin, Ireland, July 3-6, 1994; Association for Computing Machinery: New York
-
Robertson, S. E.; Walker, S. In Some Simple Effective Approximations to the 2-Poisson Model for Probabilistic Weighted Retrieval, Proceedings of the 17th Annual International ACM SIGIR Conference on Research and Development in Information Retrieval, Dublin, Ireland, July 3-6, 1994; Association for Computing Machinery: New York, 1994; pp 232-241.
-
(1994)
Proceedings of the 17th Annual International ACM SIGIR Conference on Research and Development in Information Retrieval
, pp. 232-241
-
-
Robertson, S.E.1
Walker, S.2
-
19
-
-
0029310101
-
Large test collection experiments on an operational, interactive system: Okapi at TREC
-
Robertson, S. E.; Walker, S.; Hancock-Beaulieu, M. M. Large test collection experiments on an operational, interactive system: Okapi at TREC. Inf. Process. Manage. 1995, 31, 345-360.
-
(1995)
Inf. Process. Manage
, vol.31
, pp. 345-360
-
-
Robertson, S.E.1
Walker, S.2
Hancock-Beaulieu, M.M.3
-
20
-
-
45549117987
-
Term-weighting approaches in automatic text retrieval
-
Salton, G.; Buckley, C. Term-weighting approaches in automatic text retrieval. Inf. Process. Manage. 1988, 24, 513-523.
-
(1988)
Inf. Process. Manage
, vol.24
, pp. 513-523
-
-
Salton, G.1
Buckley, C.2
-
21
-
-
0010023878
-
New term weighting formulas for the vector space method in information retrieval
-
Oak Ridge National Laboratory: Oak Ridge, TN
-
Chisholm, E.; Kolda, T. G. New Term Weighting Formulas for the Vector Space Method in Information Retrieval; Technical Report; Oak Ridge National Laboratory: Oak Ridge, TN, 1999.
-
(1999)
Technical Report
-
-
Chisholm, E.1
Kolda, T.G.2
-
22
-
-
3042817631
-
Combining the language model and inference network approaches to retrieval
-
Metzler, D.; Croft, W. B. Combining the language model and inference network approaches to retrieval. Inf. Process. Manage. 2004, 40, 735-750.
-
(2004)
Inf. Process. Manage
, vol.40
, pp. 735-750
-
-
Metzler, D.1
Croft, W.B.2
-
23
-
-
0003911273
-
-
Symyx Technologies: San Diego, CA;, Accessed November 19, 2010
-
MDL Drug Data Report; Symyx Technologies: San Diego, CA; http://www.symyx.com/products/databases/bioactivity/mddr/index.jsp. Accessed November 19, 2010.
-
MDL Drug Data Report
-
-
-
24
-
-
79952599990
-
-
Pipeline Pilot; Accelrys Software Inc.: San Diego, CA, 2008
-
Pipeline Pilot; Accelrys Software Inc.: San Diego, CA, 2008.
-
-
-
-
25
-
-
33646249968
-
New methods for ligand-based virtual screening: Use of data fusion and machine learning to enhance the effectiveness of similarity searching
-
Hert, J.; Willett, P.; Wilton, D. J.; Acklin, P.; Azzaoui, K.; Jacoby, E.; Schuffenhauer, A. New Methods for Ligand-Based Virtual Screening: use of Data Fusion and Machine Learning to Enhance the Effectiveness of Similarity Searching. J. Chem. Inf. Model. 2006, 46, 462-470.
-
(2006)
J. Chem. Inf. Model
, vol.46
, pp. 462-470
-
-
Hert, J.1
Willett, P.2
Wilton, D.J.3
Acklin, P.4
Azzaoui, K.5
Jacoby, E.6
Schuffenhauer, A.7
-
26
-
-
65349136650
-
Maximum unbiased validation (MUV) data sets for virtual screening based on PubChem bioactivity data
-
Rohrer, S. G.; Baumann, K. Maximum Unbiased Validation (MUV) Data Sets for Virtual Screening Based on PubChem Bioactivity Data. J. Chem. Inf. Model. 2009, 49, 169-184.
-
(2009)
J. Chem. Inf. Model
, vol.49
, pp. 169-184
-
-
Rohrer, S.G.1
Baumann, K.2
|