-
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. R. 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.R.3
-
4
-
-
1042265247
-
Approaches to Measure Chemical Similarity-A Review
-
Nikolova N., Jaworska J. Approaches to Measure Chemical Similarity-A Review. QSAR Comb. Sci. 2003 ; 22: 1006-1026
-
(2003)
QSAR Comb. Sci
, vol.22
, pp. 1006-1026
-
-
Nikolova, N.1
Jaworska, J.2
-
5
-
-
33845995827
-
Enhancing the effectiveness of ligand-based virtual screening using data fusion
-
DOI 10.1002/qsar.200610084
-
Willett P. Enhancing the Effectiveness of Ligand-Based Virtual Screening Using Data Fusion. QSAR Comb. Sci. 2006 ; 25: 1143-1152 (Pubitemid 46052451)
-
(2006)
QSAR and Combinatorial Science
, vol.25
, Issue.12
, pp. 1143-1152
-
-
Willett, P.1
-
6
-
-
2942700377
-
Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures
-
Hert J., Willett P., Wilton D. J., Acklin P., Azzaoui K., Jacoby E., Schuffenhauer A. Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures. J. Chem. Inf. Comput. Sci. 2004 ; 44: 1177-1185
-
(2004)
J. Chem. Inf. Comput. Sci
, vol.44
, pp. 1177-1185
-
-
Hert, J.1
Willett, P.2
Wilton, D.J.3
Acklin, P.4
Azzaoui, K.5
Jacoby, E.6
Schuffenhauer, A.7
-
7
-
-
60849101543
-
Similarity-Based Virtual Screening with a Bayesian Inference Network
-
Abdo A., Salim N. Similarity-Based Virtual Screening with a Bayesian Inference Network. Chem. Med. Chem. 2009 ; 4: 210-218
-
(2009)
Chem. Med. Chem
, vol.4
, pp. 210-218
-
-
Abdo, A.1
Salim, N.2
-
8
-
-
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
-
9
-
-
79952614063
-
New Fragment Weighting Scheme for the Bayesian Inference Network in Ligand-Based Virtual Screening
-
Abdo A., Salim N. New Fragment Weighting Scheme for the Bayesian Inference Network in Ligand-Based Virtual Screening. J. Chem. Inf. Model. 2011 ; 51: 25-32
-
(2011)
J. Chem. Inf. Model
, vol.51
, pp. 25-32
-
-
Abdo, A.1
Salim, N.2
-
10
-
-
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
-
11
-
-
76049101013
-
Bayesian Inference Network Significantly Improves the Effectiveness of Similarity Searching Using Multiple 2D Fingerprints and Multiple Reference Structures
-
Abdo A., Salim N. Bayesian Inference Network Significantly Improves the Effectiveness of Similarity Searching Using Multiple 2D Fingerprints and Multiple Reference Structures. QSAR Comb. Sci. 2009 ; 28: 1537-1545
-
(2009)
QSAR Comb. Sci
, vol.28
, pp. 1537-1545
-
-
Abdo, A.1
Salim, N.2
-
12
-
-
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
-
14
-
-
0346907250
-
A survey on the use of relevance feedback for information access systems
-
Ruthven I., Lalmas M. A survey on the use of relevance feedback for information access systems. Knowl. Eng. Rev. 2003 ; 18: 95-145
-
(2003)
Knowl. Eng. Rev
, vol.18
, pp. 95-145
-
-
Ruthven, I.1
Lalmas, M.2
-
15
-
-
27544441634
-
Enhancing the effectiveness of similarity-based virtual screening using nearest-neighbor information
-
DOI 10.1021/jm050316n
-
Hert J. R. M., Willett P., Wilton D. J., Acklin P., Azzaoui K., Jacoby E., Schuffenhauer A. Enhancing the Effectiveness of Similarity-Based Virtual Screening Using Nearest-Neighbor Information. J. Med. Chem. 2005 ; 48: 7049-7054 (Pubitemid 41534671)
-
(2005)
Journal of Medicinal Chemistry
, vol.48
, Issue.22
, pp. 7049-7054
-
-
Hert, J.1
Willett, P.2
Wilton, D.J.3
Acklin, P.4
Azzaoui, K.5
Jacoby, E.6
Schuffenhauer, A.7
-
16
-
-
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
-
17
-
-
0003911273
-
-
Symyx Technologies (accessed Feb 14, 2011)
-
Symyx Technologies. MDL Drug Data Report. http://www.symyx.com/products/ databases/bioactivity/mddr/index.jsp (accessed Feb 14, 2011).
-
MDL Drug Data Report
-
-
-
19
-
-
2442716437
-
Finding more needles in the haystack: A simple and efficient method for improving high-throughput docking results
-
DOI 10.1021/jm030363k
-
Klon A. E., Glick M., Thoma M., Acklin P., Davies J. W. Finding More Needles in the Haystack: A Simple and Efficient Method for Improving High-Throughput Docking Results. J. Med. Chem. 2004 ; 47: 2743-2749 (Pubitemid 38656727)
-
(2004)
Journal of Medicinal Chemistry
, vol.47
, Issue.11
, pp. 2743-2749
-
-
Klon, A.E.1
Glick, M.2
Thoma, M.3
Acklin, P.4
Davies, J.W.5
|