-
1
-
-
84858978535
-
Drug repositioning for personalized medicine
-
Li, Y.Y.; Jones, S.J. Drug repositioning for personalized medicine. Genome Med., 2012, 4, (27).
-
(2012)
Genome Med.
, vol.4
, pp. 27
-
-
Li, Y.Y.1
Jones, S.J.2
-
2
-
-
84867338003
-
Discovery and preclinical validation of drug indications using compendia of public gene expression data
-
Sirota, M.; Dudley, J.T.; Kim, J.; Chiang, A.P.; Morgan, A.A.; Sweet-Cordero, A.; Sage, J.; Butte, A.J. Discovery and preclinical validation of drug indications using compendia of public gene expression data. Sci. Transl. Med., 2011, 3, 96ra77.
-
(2011)
Sci. Transl. Med.
, vol.3
-
-
Sirota, M.1
Dudley, J.T.2
Kim, J.3
Chiang, A.P.4
Morgan, A.A.5
Sweet-Cordero, A.6
Sage, J.7
Butte, A.J.8
-
3
-
-
4344668661
-
Drug repositioning: Identifying and developing new uses for existing drugs
-
Ashburn, T.; Thor, K. Drug repositioning: Identifying and developing new uses for existing drugs. Nat. Rev. Drug Discovery, 2004, 3, 673-683.
-
(2004)
Nat. Rev. Drug Discovery
, vol.3
, pp. 673-683
-
-
Ashburn, T.1
Thor, K.2
-
4
-
-
5344244908
-
Chemical similarity searching
-
Willett, P.; Barnard, J.; Downs, G. Chemical similarity searching. J. Chem. Inf. Model., 1998, 38, 983-996.
-
(1998)
J. Chem. Inf. Model.
, vol.38
, pp. 983-996
-
-
Willett, P.1
Barnard, J.2
Downs, G.3
-
5
-
-
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
-
6
-
-
77956952857
-
Combination rules for group fusion in similarity-based virtual screening
-
Chen, B.; Mueller, C.; Willett, P. Combination rules for group fusion in similarity-based virtual screening. Mol. Inf., 2010, 29, 533-541.
-
(2010)
Mol. Inf.
, vol.29
, pp. 533-541
-
-
Chen, B.1
Mueller, C.2
Willett, P.3
-
7
-
-
33846876695
-
Relating protein pharmacology by ligand chemistry
-
Keiser, M.; Roth, B.; Armbruster, B.; Ernsberger, P.; Irwin, J.; Shoichet, B. Relating protein pharmacology by ligand chemistry. Nat. Biotechnol., 2007, 25, 197-206.
-
(2007)
Nat. Biotechnol.
, vol.25
, pp. 197-206
-
-
Keiser, M.1
Roth, B.2
Armbruster, B.3
Ernsberger, P.4
Irwin, J.5
Shoichet, B.6
-
8
-
-
33845995827
-
Enhancing the effectiveness of ligand-based virtual screening using data fusion
-
Willett, P. Enhancing the effectiveness of ligand-based virtual screening using data fusion. QSAR Comb. Sci., 2006, 25, 1143-1152.
-
(2006)
QSAR Comb. Sci.
, vol.25
, pp. 1143-1152
-
-
Willett, P.1
-
9
-
-
84858053438
-
Virtual screening data fusion using both structure-and ligand-based methods
-
Svensson, F.; Karlén, A.; Sköld, C. Virtual screening data fusion using both structure-and ligand-based methods. J. Chem. Inf. Model., 2011, 52, 225-232.
-
(2011)
J. Chem. Inf. Model.
, vol.52
, pp. 225-232
-
-
Svensson, F.1
Karlén, A.2
Sköld, C.3
-
10
-
-
79960796417
-
Exploiting drug-disease relationships for computational drug repositioning
-
Dudley, J.; Deshpande, T.; Butte, A. Exploiting drug-disease relationships for computational drug repositioning. Briefings Bioinf., 2011, 12, 303-311.
-
(2011)
Briefings Bioinf.
, vol.12
, pp. 303-311
-
-
Dudley, J.1
Deshpande, T.2
Butte, A.3
-
11
-
-
79958754253
-
Predict: A method for inferring novel drug indications with application to personalized medicine
-
Gottlieb, A.; Stein, G.; Ruppin, E.; Sharan, R. PREDICT: a method for inferring novel drug indications with application to personalized medicine. Mol. Syst. Biol., 2011, 7.
-
Mol. Syst. Biol.
, vol.2011
, pp. 7
-
-
Gottlieb, A.1
Stein, G.2
Ruppin, E.3
Sharan, R.4
-
12
-
-
80053453210
-
A computational approach to finding novel targets for existing drugs
-
Li, Y.; An, J.; Jones, S. A computational approach to finding novel targets for existing drugs. PLoS Comput. Biol., 2011, 7
-
(2011)
PLoS Comput. Biol.
, pp. 7
-
-
Li, Y.1
An, J.2
Jones, S.3
-
13
-
-
84867338003
-
Discovery and preclinical validation of drug indications using compendia of public gene expression data
-
Sirota, M.; Dudley, J.; Kim, J.; Chiang, A.; Morgan, A.; Sweet-Cordero, A.; Sage, J.; Butte, A. Discovery and preclinical validation of drug indications using compendia of public gene expression data. Sci. Transl. Med., 2011, 3
-
(2011)
Sci. Transl. Med.
, pp. 3
-
-
Sirota, M.1
Dudley, J.2
Kim, J.3
Chiang, A.4
Morgan, A.5
Sweet-Cordero, A.6
Sage, J.7
Butte, A.8
-
14
-
-
79960799858
-
Mining small-molecule screens to repurpose drugs
-
Swamidass, S. Mining small-molecule screens to repurpose drugs. Briefings Bioinf., 2011, 12, (4), 327-335.
-
(2011)
Briefings Bioinf.
, vol.12
, Issue.4
, pp. 327-335
-
-
Swamidass, S.1
-
15
-
-
79960775459
-
Drug repositioning for orphan diseases
-
Sardana, D.; Zhu, C.; Zhang, M.; Gudivada, R.; Yang, L.; Jegga, A. Drug repositioning for orphan diseases. Briefings Bioinf., 2011, 12, 346-356.
-
(2011)
Briefings Bioinf.
, vol.12
, pp. 346-356
-
-
Sardana, D.1
Zhu, C.2
Zhang, M.3
Gudivada, R.4
Yang, L.5
Jegga, A.6
-
16
-
-
33746156959
-
Global mapping of pharmacological space
-
Paolini, G.; Shapland, R.; van Hoorn, W.; Mason, J.; Hopkins, A. Global mapping of pharmacological space. Nature Biotechnol., 2006, 24, 805-815.
-
(2006)
Nature Biotechnol.
, vol.24
, pp. 805-815
-
-
Paolini, G.1
Shapland, R.2
Van Hoorn, W.3
Mason, J.4
Hopkins, A.5
-
17
-
-
54249155522
-
Network pharmacology: The next paradigm in drug discovery
-
Hopkins, A. Network pharmacology: the next paradigm in drug discovery. Nat. Chem. Biol., 2008, 4, 682-690.
-
(2008)
Nat. Chem. Biol.
, vol.4
, pp. 682-690
-
-
Hopkins, A.1
-
18
-
-
70449634957
-
Predicting new molecular targets for known drugs
-
Keiser, M.; Setola, V.; Irwin, J.; Laggner, C.; Abbas, A.; Hufeisen, S.; Jensen, N.; Kuijer, M.; Matos, R.; Tran, T.; Whaley, R.; Glennon, R.; Hert, J.; Thomas, K.; Edwards, D.; Shoichet, B.; Roth, B. Predicting new molecular targets for known drugs. Nature, 2009, 462, 175-U148.
-
(2009)
Nature
, vol.462
-
-
Keiser, M.1
Setola, V.2
Irwin, J.3
Laggner, C.4
Abbas, A.5
Hufeisen, S.6
Jensen, N.7
Kuijer, M.8
Matos, R.9
Tran, T.10
Whaley, R.11
Glennon, R.12
Hert, J.13
Thomas, K.14
Edwards, D.15
Shoichet, B.16
Roth, B.17
-
19
-
-
78651321625
-
Promiscuous: A database for network-based drugrepositioning
-
von Eichborn, J.; Murgueitio, M.; Dunkel, M.; Koerner, S.; Bourne, P.; Preissner, R. PROMISCUOUS: a database for network-based drugrepositioning. Nucleic Acids Res., 2011, 39, D1060-D1066.
-
(2011)
Nucleic Acids Res.
, vol.39
-
-
Von Eichborn, J.1
Murgueitio, M.2
Dunkel, M.3
Koerner, S.4
Bourne, P.5
Preissner, R.6
-
20
-
-
64049085062
-
Opinion a network view of disease and compound screening
-
Schadt, E.; Friend, S.; Shaywitz, D. OPINION A network view of disease and compound screening. Nat. Rev. Drug Discovery, 2009, 8, 286-295.
-
(2009)
Nat. Rev. Drug Discovery
, vol.8
, pp. 286-295
-
-
Schadt, E.1
Friend, S.2
Shaywitz, D.3
-
21
-
-
84872894535
-
The fourth paradigm
-
Hey, T.; Tansley, S.; Tolle, K.M., Eds.
-
Gillam, M.; Feied, C.; Handler, J.; Moody, E.; Shneiderman, B.; Plaisant, C.; Smith, M.; Dickason, J. In The Fourth Paradigm. Hey, T.; Tansley, S.; Tolle, K.M., Eds.; Microsoft Research, 2009, 57-64.
-
(2009)
Microsoft Research
, pp. 57-64
-
-
Gillam, M.1
Feied, C.2
Handler, J.3
Moody, E.4
Shneiderman, B.5
Plaisant, C.6
Smith, M.7
Dickason, J.8
-
22
-
-
34547842091
-
Strategies to support drug discovery through integration of systems and data
-
Walter, C.; Shah, A.; Nolte, M. Strategies to support drug discovery through integration of systems and data. Drug Discovery Today, 2007, 12, 634-639.
-
(2007)
Drug Discovery Today
, vol.12
, pp. 634-639
-
-
Walter, C.1
Shah, A.2
Nolte, M.3
-
23
-
-
34547140875
-
The human disease network
-
Goh, K.; Cusick, M.; Valle, D.; Childs, B.; Vidal, M.; Barabasi, A. The human disease network. Proc. Natl. Acad. Sci. M. S. A, 2007, 104, 8685-8690.
-
(2007)
Proc. Natl. Acad. Sci. M. S. A
, vol.104
, pp. 8685-8690
-
-
Goh, K.1
Cusick, M.2
Valle, D.3
Childs, B.4
Vidal, M.5
Barabasi, A.6
-
24
-
-
0742305866
-
Network biology: Understanding the cell's functional organization
-
Barabasi, A.; Oltvai, Z. Network biology: Understanding the cell's functional organization. Nat. Rev. Genet., 2004, 5, 101-U115.
-
(2004)
Nat. Rev. Genet.
, vol.5
-
-
Barabasi, A.1
Oltvai, Z.2
-
25
-
-
33845876254
-
Innovation - The connectivity map: A new tool for biomedical research
-
Lamb, J. Innovation -The Connectivity Map: a new tool for biomedical research. Nat. Rev. Cancer, 2007, 7, 54-60.
-
(2007)
Nat. Rev. Cancer
, vol.7
, pp. 54-60
-
-
Lamb, J.1
-
26
-
-
33749335282
-
The connectivity map: Using gene-expression signatures to connect small molecules genes and disease
-
Lamb, J.; Crawford, E.; Peck, D.; Modell, J.; Blat, I.; Wrobel, M.; Lerner, J.; Brunet, J.; Subramanian, A.; Ross, K.; Reich, M.; Hieronymus, H.; Wei, G.; Armstrong, S.; Haggarty, S.; Clemons, P.; Wei, R.; Carr, S.; Lander, E.; Golub, T. The connectivity map: Using gene-expression signatures to connect small molecules, genes, and disease. Science, 2006, 313, 1929-1935.
-
(2006)
Science
, vol.313
, pp. 1929-1935
-
-
Lamb, J.1
Crawford, E.2
Peck, D.3
Modell, J.4
Blat, I.5
Wrobel, M.6
Lerner, J.7
Brunet, J.8
Subramanian, A.9
Ross, K.10
Reich, M.11
Hieronymus, H.12
Wei, G.13
Armstrong, S.14
Haggarty, S.15
Clemons, P.16
Wei, R.17
Carr, S.18
Lander, E.19
Golub, T.20
more..
-
27
-
-
33846873891
-
In vitro drug sensitivity-gene expression correlations involve a tissue of origin dependency
-
Andersson, C.; Fryknas, M.; Rickardson, L.; Larsson, R.; Isaksson, A.; Gustafsson, M. In vitro drug sensitivity-gene expression correlations involve a tissue of origin dependency. J. Chem. Inf. Model., 2007, 47, 239-248.
-
(2007)
J. Chem. Inf. Model.
, vol.47
, pp. 239-248
-
-
Andersson, C.1
Fryknas, M.2
Rickardson, L.3
Larsson, R.4
Isaksson, A.5
Gustafsson, M.6
-
28
-
-
68449088145
-
Human disease-drug network based on genomic expression profiles
-
Hu, G.; Agarwal, P. Human disease-drug network based on genomic expression profiles. PLoS One, 2009, 4, (8).
-
(2009)
PLoS One
, vol.4
, pp. 8
-
-
Hu, G.1
Agarwal, P.2
-
29
-
-
65549134255
-
Inferring novel disease indications for known drugs by semantically linking drug action and disease mechanism relationships
-
Qu, X.; Gudivada, R.; Jegga, A.; Neumann, E.; Aronow, B. Inferring novel disease indications for known drugs by semantically linking drug action and disease mechanism relationships. BMC Bioinf., 2009, 10.
-
(2009)
BMC Bioinf.
, vol.10
-
-
Qu, X.1
Gudivada, R.2
Jegga, A.3
Neumann, E.4
Aronow, B.5
-
30
-
-
77957044703
-
Discovery of drug mode of action and drug repositioning from transcriptional responses
-
Iorio, F.; Bosotti, R.; Scacheri, E.; Belcastro, V.; Mithbaokar, P.; Ferriero, R.; Murino, L.; Tagliaferri, R.; Brunetti-Pierri, N.; Isacchi, A.; di Bernardo, D. Discovery of drug mode of action and drug repositioning from transcriptional responses. Proc. Natl. Acad. Sci. M. S. A., 2010, 107, 14621-14626.
-
(2010)
Proc. Natl. Acad. Sci. M. S. A.
, vol.107
, pp. 14621-14626
-
-
Iorio, F.1
Bosotti, R.2
Scacheri, E.3
Belcastro, V.4
Mithbaokar, P.5
Ferriero, R.6
Murino, L.7
Tagliaferri, R.8
Brunetti-Pierri, N.9
Isacchi, A.10
Di Bernardo, D.11
-
31
-
-
47249146126
-
Drug target identification using side-effect similarity
-
Campillos, M.; Kuhn, M.; Gavin, A.; Jensen, L.; Bork, P. Drug target identification using side-effect similarity. Science, 2008, 321, 263-266.
-
(2008)
Science
, vol.321
, pp. 263-266
-
-
Campillos, M.1
Kuhn, M.2
Gavin, A.3
Jensen, L.4
Bork, P.5
-
33
-
-
38549182474
-
Supertarget and matador: Resources for exploring drug-target relationships
-
Gunther, S.; Kuhn, M.; Dunkel, M.; Campillos, M.; Senger, C.; Petsalaki, E.; Ahmed, J.; Urdiales, E.; Gewiess, A.; Jensen, L.; Schneider, R.; Skoblo, R.; Russell, R.; Bourne, P.; Bork, P.; Preissner, R. SuperTarget and Matador: resources for exploring drug-target relationships. Nucleic Acids Res., 2008, 36, D919-D922.
-
(2008)
Nucleic Acids Res.
, vol.36
-
-
Gunther, S.1
Kuhn, M.2
Dunkel, M.3
Campillos, M.4
Senger, C.5
Petsalaki, E.6
Ahmed, J.7
Urdiales, E.8
Gewiess, A.9
Jensen, L.10
Schneider, R.11
Skoblo, R.12
Russell, R.13
Bourne, P.14
Bork, P.15
Preissner, R.16
-
34
-
-
38549151817
-
Drugbank: A knowledgebase for drugs, drug actions and drug targets
-
Wishart, D.; Knox, C.; Guo, A.; 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.
-
(2008)
Nucleic Acids Res.
, vol.36
-
-
Wishart, D.1
Knox, C.2
Guo, A.3
Cheng, D.4
Shrivastava, S.5
Tzur, D.6
Gautam, B.7
Hassanali, M.8
-
35
-
-
84872939454
-
-
NIMH Psychoactive Drug Screening Program Ki Database -
-
NIMH Psychoactive Drug Screening Program Ki Database -http://pdsp.med. unc.edu/kidb.php.
-
-
-
-
36
-
-
76149120425
-
A side effect resource to capture phenotypic effects of drugs
-
Kuhn, M.; Campillos, M.; Letunic, I.; Jensen, L.; Bork, P. A side effect resource to capture phenotypic effects of drugs. Mol. Syst. Biol., 2010, 6, -.
-
(2010)
Mol. Syst. Biol.
, vol.6
-
-
Kuhn, M.1
Campillos, M.2
Letunic, I.3
Jensen, L.4
Bork, P.5
-
37
-
-
84872975238
-
Concepts and applications of molecular similarity
-
Henrickson, J.; Johnson, M.; Maggiori, G. Concepts and applications of molecular similarity. Science, 1991, 252, 1189-1189.
-
(1991)
Science
, vol.252
, pp. 1189-1189
-
-
Henrickson, J.1
Johnson, M.2
Maggiori, G.3
-
38
-
-
0000166488
-
Similarity and dissimilarity: A medicinal chemist's view. Perspect
-
Kubinyi, H. Similarity and dissimilarity: A medicinal chemist's view. Perspect. Drug Discovery Des., 1998, 9-11, 225-252.
-
(1998)
Drug Discovery Des.
, vol.9-11
, pp. 225-252
-
-
Kubinyi, H.1
-
39
-
-
33845782959
-
Analysis of data fusion methods in virtual screening: Similarity and group fusion
-
Whittle, M.; Gillet, V.; Willett, P.; Loesel, J. Analysis of data fusion methods in virtual screening: Similarity and group fusion. J. Chem. Inf. Model., 2006, 46, 2206-2219.
-
(2006)
J. Chem. Inf. Model.
, vol.46
, pp. 2206-2219
-
-
Whittle, M.1
Gillet, V.2
Willett, P.3
Loesel, J.4
-
40
-
-
33845787616
-
Analysis of data fusion methods in virtual screening: Theoretical model
-
Whittle, M.; Gillet, V.; Willett, P. Analysis of data fusion methods in virtual screening: Theoretical model. J. Chem. Inf. Model., 2006, 46, 2193-2205.
-
(2006)
J. Chem. Inf. Model.
, vol.46
, pp. 2193-2205
-
-
Whittle, M.1
Gillet, V.2
Willett, P.3
-
41
-
-
0037361941
-
Combination of fingerprint-based similarity coefficients using data fusion
-
Salim, N.; Holliday, J.; Willett, P. Combination of fingerprint-based similarity coefficients using data fusion. J. Chem. Inf. Model., 2003, 43, 435-442.
-
(2003)
J. Chem. Inf. Model.
, vol.43
, pp. 435-442
-
-
Salim, N.1
Holliday, J.2
Willett, P.3
-
42
-
-
0033669056
-
Combination of molecular similarity measures using data fusion. Perspect
-
Ginn, C.; Willett, P.; Bradshaw, J. Combination of molecular similarity measures using data fusion. Perspect. Drug Discovery Des., 2000, 20, 1-16.
-
(2000)
Drug Discovery Des.
, vol.20
, pp. 1-16
-
-
Ginn, C.1
Willett, P.2
Bradshaw, J.3
-
43
-
-
33947245022
-
Evaluation of machine-learning methods for ligandbased virtual screening
-
Chen, B.; Harrison, R.; Papadatos, G.; Willett, P.; Wood, D.; Lewell, X.; Greenidge, P.; Stiefl, N. Evaluation of machine-learning methods for ligandbased virtual screening. J. Comput.-Aided Mol. Des., 2007, 21, 53-62.
-
(2007)
J. Comput.-Aided Mol. Des.
, vol.21
, pp. 53-62
-
-
Chen, B.1
Harrison, R.2
Papadatos, G.3
Willett, P.4
Wood, D.5
Lewell, X.6
Greenidge, P.7
Stiefl, N.8
-
44
-
-
0003102354
-
Similarity searching in files of three-dimensional chemical structures: Evaluation of the eva descriptor and combination of rankings using data fusion
-
Ginn, C.; Turner, D.; Willett, P.; Ferguson, A.; Heritage, T. Similarity searching in files of three-dimensional chemical structures: Evaluation of the EVA descriptor and combination of rankings using data fusion. J. Chem. Inf. Model., 1997, 37, 23-37.
-
(1997)
J. Chem. Inf. Model.
, vol.37
, pp. 23-37
-
-
Ginn, C.1
Turner, D.2
Willett, P.3
Ferguson, A.4
Heritage, T.5
-
45
-
-
70350227039
-
Systematic evaluation of drug-disease relationships to identify leads for novel drug uses
-
Chiang, A.; Butte, A. Systematic evaluation of drug-disease relationships to identify leads for novel drug uses. Clin. Pharmacol. Ther., 2009, 86, 507-510.
-
(2009)
Clin. Pharmacol. Ther.
, vol.86
, pp. 507-510
-
-
Chiang, A.1
Butte, A.2
-
46
-
-
33748667774
-
Consensus scoring for protein-ligand interactions
-
Feher, M. Consensus scoring for protein-ligand interactions. Drug Discovery Today, 2006, 11, 421-428.
-
(2006)
Drug Discovery Today
, vol.11
, pp. 421-428
-
-
Feher, M.1
-
47
-
-
0043146556
-
Application of neural networks in structure-activity relationships
-
Kovesdi, I.; Dominguez-Rodriguez, M.; Orfi, L.; Naray-Szabo, G.; Varro, A.; Papp, J.; Matyus, P. Application of neural networks in structure-activity relationships. Med. Res. Rev., 1999, 19, 249-269.
-
(1999)
Med. Res. Rev.
, vol.19
, pp. 249-269
-
-
Kovesdi, I.1
Dominguez-Rodriguez, M.2
Orfi, L.3
Naray-Szabo, G.4
Varro, A.5
Papp, J.6
Matyus, P.7
-
48
-
-
33947245022
-
Evaluation of machine-learning methods for ligandbased virtual screening
-
Chen, B.; Harrison, R.; Papadatos, G.; Willett, P.; Wood, D.; Lewell, X.; Greenidge, P.; Stiefl, N. Evaluation of machine-learning methods for ligandbased virtual screening. Journal of Computer-Aided Molecular Design, 2007, 21, 53-62.
-
(2007)
Journal of Computer-Aided Molecular Design
, vol.21
, pp. 53-62
-
-
Chen, B.1
Harrison, R.2
Papadatos, G.3
Willett, P.4
Wood, D.5
Lewell, X.6
Greenidge, P.7
Stiefl, N.8
-
49
-
-
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.; 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.3
Acklin, P.4
Azzaoui, K.5
Jacoby, E.6
Schuffenhauer, A.7
-
50
-
-
20444410410
-
Virtual screening of molecular databases using a support vector machine
-
Jorissen, R.; Gilson, M. Virtual screening of molecular databases using a Support Vector Machine. J. Chem. Inf. Model., 2005, 45, 549-561.
-
(2005)
J. Chem. Inf. Model.
, vol.45
, pp. 549-561
-
-
Jorissen, R.1
Gilson, M.2
-
51
-
-
0037365194
-
Active learning with support vector machines in the drug discovery process
-
Warmuth, M.; Liao, J.; Ratsch, G.; Mathieson, M.; Putta, S.; Lemmen, C. Active learning with support vector machines in the drug discovery process. J. Chem. Inf. Model., 2003, 43, 667-673.
-
(2003)
J. Chem. Inf. Model.
, vol.43
, pp. 667-673
-
-
Warmuth, M.1
Liao, J.2
Ratsch, G.3
Mathieson, M.4
Putta, S.5
Lemmen, C.6
-
52
-
-
0034740222
-
Drug design by machine learning: Support vector machines for pharmaceutical data analysis
-
(Oxford, M. K.
-
Burbidge, R.; Trotter, M.; Buxton, B.; Holden, S. Drug design by machine learning: support vector machines for pharmaceutical data analysis. Comput. Chem. (Oxford, M. K.), 2001, 26, 5-14.
-
(2001)
Comput. Chem.
, vol.26
, pp. 5-14
-
-
Burbidge, R.1
Trotter, M.2
Buxton, B.3
Holden, S.4
-
53
-
-
0032594959
-
An overview of statistical learning theory
-
Vapnik, V. An overview of statistical learning theory. Ieee Trans. Neural Netw., 1999, 10, 988-999.
-
(1999)
Ieee Trans. Neural Netw.
, vol.10
, pp. 988-999
-
-
Vapnik, V.1
-
54
-
-
84899022519
-
Active learning in the drug discovery process
-
Warmuth, M.; Ratsch, G.; Mathieson, M.; Liao, J.; Lemmen, C.; Dietterich, T.; Becker, S.; Ghahramani, Z. Active learning in the drug discovery process. Adv. Neural Inf. Process. Syst., 2002, 14, 1449-1456.
-
(2002)
Adv. Neural Inf. Process. Syst.
, vol.14
, pp. 1449-1456
-
-
Warmuth, M.1
Ratsch, G.2
Mathieson, M.3
Liao, J.4
Lemmen, C.5
Dietterich, T.6
Becker, S.7
Ghahramani, Z.8
-
56
-
-
33646406808
-
Learning and classifying under hard budgets. Machine learning: Ecml 2005
-
Kapoor, A.; Greiner, R.; Gama, J.; Camacho, R.; Brazdil, P.; Jorge, A.; Torgo, L. Learning and classifying under hard budgets. Machine Learning: Ecml 2005, Proceedings, 2005, 3720, 170-181.
-
(2005)
Proceedings
, vol.3720
, pp. 170-181
-
-
Kapoor, A.1
Greiner, R.2
Gama, J.3
Camacho, R.4
Brazdil, P.5
Jorge, A.6
Torgo, L.7
-
57
-
-
0036100116
-
Learning gene functional classifications from multiple data types
-
Pavlidis, P.; Weston, J.; Cai, J.; Noble, W. Learning gene functional classifications from multiple data types. J. Comput. Biol., 2002, 9, 401-411.
-
(2002)
J. Comput. Biol.
, vol.9
, pp. 401-411
-
-
Pavlidis, P.1
Weston, J.2
Cai, J.3
Noble, W.4
-
58
-
-
8844263749
-
A statistical framework for genomic data fusion
-
Lanckriet, G.; De Bie, T.; Cristianini, N.; Jordan, M.; Noble, W. A statistical framework for genomic data fusion. Bioinformatics, 2004, 20, 2626-2635.
-
(2004)
Bioinformatics
, vol.20
, pp. 2626-2635
-
-
Lanckriet, G.1
De Bie, T.2
Cristianini, N.3
Jordan, M.4
Noble, W.5
-
59
-
-
2442674422
-
Kernel-based data fusion and its application to protein function prediction in yeast
-
Lanckriet, G.; Deng, M.; Cristianini, N.; Jordan, M.; Noble, W.; Altman, R.; Dunker, A.; Hunter, L.; Jung, T.; Klein, T. Kernel-based data fusion and its application to protein function prediction in yeast. Pacific Symposium on Biocomputing 2004, 2003, 300-311.
-
(2004)
Pacific Symposium on Biocomputing
, vol.2003
, pp. 300-311
-
-
Lanckriet, G.1
Deng, M.2
Cristianini, N.3
Jordan, M.4
Noble, W.5
Altman, R.6
Dunker, A.7
Hunter, L.8
Jung, T.9
Klein, T.10
-
60
-
-
57249084590
-
-
Rakotomamonjy, A.; Bach, F.; Canu, S.; Grandvalet, Y. SimpleMK.L. J. Mach. Learn. Res., 2008, 9, 2491-2521.
-
(2008)
J. Mach. Learn. Res.
, vol.9
, pp. 2491-2521
-
-
Rakotomamonjy, A.1
Bach, F.2
Canu, S.3
Grandvalet, Y.4
Simple, M.K.L.5
-
61
-
-
0942266514
-
Support vector data description
-
Tax, D.; Duin, R. Support vector data description. Mach. Learn., 2004, 54, 45-66.
-
(2004)
Mach. Learn.
, vol.54
, pp. 45-66
-
-
Tax, D.1
Duin, R.2
-
62
-
-
0033220728
-
Support vector domain description
-
Tax, D.; Duin, R. Support vector domain description. Pattern Recognit. Lett., 1999, 20, 1191-1199.
-
(1999)
Pattern Recognit. Lett.
, vol.20
, pp. 1191-1199
-
-
Tax, D.1
Duin, R.2
-
63
-
-
0030130884
-
Network constraints and multi-objective optimization for one-class classification
-
Moya, M.; Hush, D. Network constraints and multi-objective optimization for one-class classification. Neural Networks, 1996, 9, 463-474.
-
(1996)
Neural Networks
, vol.9
, pp. 463-474
-
-
Moya, M.1
Hush, D.2
-
64
-
-
0000487102
-
Estimating the support of a high-dimensional distribution
-
Schölkopf, B.; Platt, J.; Shawe-Taylor, J.; Smola, A.; Williamson, R. Estimating the support of a high-dimensional distribution. Neural Comput., 2001, 13, 1443-1471.
-
(2001)
Neural Comput.
, vol.13
, pp. 1443-1471
-
-
Schölkopf, B.1
Platt, J.2
Shawe-Taylor, J.3
Smola, A.4
Williamson, R.5
-
65
-
-
77951270486
-
Estimation of the applicability domain of kernel-based machine learning models for virtual screening
-
Fechner, N.; Jahn, A.; Hinselmann, G.; Zell, A. Estimation of the applicability domain of kernel-based machine learning models for virtual screening. J. Cheminf., 2010, 2, 2.
-
(2010)
J. Cheminf.
, vol.2
, pp. 2
-
-
Fechner, N.1
Jahn, A.2
Hinselmann, G.3
Zell, A.4
-
66
-
-
80155156908
-
Kernel-based data fusion improves the drug-protein interaction prediction
-
Wang, Y.; Zhang, C.; Deng, N.; Wang, Y. Kernel-based data fusion improves the drug-protein interaction prediction. Comput. Biol. Chem., 2011, 35, 353-362.
-
(2011)
Comput. Biol. Chem.
, vol.35
, pp. 353-362
-
-
Wang, Y.1
Zhang, C.2
Deng, N.3
Wang, Y.4
-
67
-
-
34547840255
-
Kernel-based data fusion for gene prioritization
-
De Bie, T.; Tranchevent, L.; Van Oeffelen, L.; Moreau, Y. Kernel-based data fusion for gene prioritization. Bioinformatics, 2007, 23, I125-I132.
-
(2007)
Bioinformatics
, vol.23
-
-
De Bie, T.1
Tranchevent, L.2
Van Oeffelen, L.3
Moreau, Y.4
-
68
-
-
79551643743
-
A guide to web tools to prioritize candidate genes
-
Tranchevent, L.; Capdevila, F.; Nitsch, D.; De Moor, B.; De Causmaecker, P.; Moreau, Y. A guide to web tools to prioritize candidate genes. Briefings Bioinf., 2011, 12, 22-32.
-
(2011)
Briefings Bioinf.
, vol.12
, pp. 22-32
-
-
Tranchevent, L.1
Capdevila, F.2
Nitsch, D.3
De Moor, B.4
De Causmaecker, P.5
Moreau, Y.6
-
71
-
-
84872948749
-
-
Vancouver, B. C., Canada
-
Vishwanathan, S.V.N.; Z. Sun, N.T.-.A.; Varma, M. In Advances in Neural Information Processing Systems: Vancouver, B. C., Canada, 2010.
-
(2010)
Advances in Neural Information Processing Systems
-
-
Vishwanathan, S.V.N.1
Sun, Z.2
Varma, M.3
-
73
-
-
84872916032
-
Construction and assessment of classification rules
-
Bock, H.-.H.; Hand, D.J. Construction and Assessment of Classification Rules. Stat. Med., 2001, 20, (2), 326-327.
-
(2001)
Stat. Med.
, vol.20
, Issue.2
, pp. 326-327
-
-
Bock, H.-.H.1
Hand, D.J.2
-
74
-
-
77952832818
-
A croc stronger than roc: Measuring, visualizing and optimizing early retrieval
-
Swamidass, S.; Azencott, C.; Daily, K.; Baldi, P. A CROC stronger than ROC: measuring, visualizing and optimizing early retrieval. Bioinformatics, 2010, 26, 1348-1356.
-
(2010)
Bioinformatics
, vol.26
, pp. 1348-1356
-
-
Swamidass, S.1
Azencott, C.2
Daily, K.3
Baldi, P.4
-
75
-
-
77952768125
-
Ranking chemical structures for drug discovery: A new machine learning approach
-
Agarwal, S.; Dugar, D.; Sengupta, S. Ranking Chemical Structures for Drug Discovery: A New Machine Learning Approach. J. Chem. Inf. Model., 2010, 50, 716-731.
-
(2010)
J. Chem. Inf. Model.
, vol.50
, pp. 716-731
-
-
Agarwal, S.1
Dugar, D.2
Sengupta, S.3
-
76
-
-
68949158347
-
A statistical framework to evaluate virtual screening
-
Zhao, W.; Hevener, K.E.; White, S.W.; Lee, R.E.; Boyett, J.M. A statistical framework to evaluate virtual screening. BMC Bioinf., 2009, 10, 13.
-
(2009)
BMC Bioinf.
, vol.10
, pp. 13
-
-
Zhao, W.1
Hevener, K.E.2
White, S.W.3
Lee, R.E.4
Boyett, J.M.5
-
77
-
-
34247272948
-
Evaluating virtual screening methods: Good and bad metrics for the "early recognition" problem
-
Truchon, J.; Bayly, C. Evaluating virtual screening methods: Good and bad metrics for the "early recognition" problem. J. Chem. Inf. Model., 2007, 47, 488-508.
-
(2007)
J. Chem. Inf. Model.
, vol.47
, pp. 488-508
-
-
Truchon, J.1
Bayly, C.2
-
78
-
-
44949156264
-
Vardenafil but not sildenafil or tadalafil, has calcium-channel blocking activity in rabbit isolated pulmonary artery and human washed platelets
-
Toque, H.; Teixeira, C.; Priviero, F.; Morganti, R.; Antunes, E.; De Nucci, G. Vardenafil, but not sildenafil or tadalafil, has calcium-channel blocking activity in rabbit isolated pulmonary artery and human washed platelets. Br. J. Pharmacol., 2008, 154, 787-796.
-
(2008)
Br. J. Pharmacol.
, vol.154
, pp. 787-796
-
-
Toque, H.1
Teixeira, C.2
Priviero, F.3
Morganti, R.4
Antunes, E.5
De Nucci, G.6
-
79
-
-
77955770724
-
Actions of thalidomide in producing vascular relaxations
-
Seto, S.; Bexis, S.; McCormick, P.; Docherty, J. Actions of thalidomide in producing vascular relaxations. Eur. J. Pharmacol., 2010, 644, 113-119.
-
(2010)
Eur. J. Pharmacol.
, vol.644
, pp. 113-119
-
-
Seto, S.1
Bexis, S.2
McCormick, P.3
Docherty, J.4
-
80
-
-
1642388977
-
Imatinib-mesylate blocks recombinant t-type calcium channels expressed in human embryonic kidney-293 cells by a protein tyrosine kinase-independent mechanism
-
Cataldi, M.; Gaudino, A.; Lariccia, V.; Russo, M.; Amoroso, S.; di Renzo, G.; Annunziato, L. Imatinib-mesylate blocks recombinant T-type calcium channels expressed in human embryonic kidney-293 cells by a protein tyrosine kinase-independent mechanism. J. Pharmacol. Exp. Ther., 2004, 309, 208-215.
-
(2004)
J. Pharmacol. Exp. Ther.
, vol.309
, pp. 208-215
-
-
Cataldi, M.1
Gaudino, A.2
Lariccia, V.3
Russo, M.4
Amoroso, S.5
Di Renzo, G.6
Annunziato, L.7
-
81
-
-
77956040787
-
Exploiting drug repositioning for discovery of a novel hiv combination therapy
-
Clouser, C.; Patterson, S.; Mansky, L. Exploiting Drug Repositioning for Discovery of a Novel HIV Combination Therapy. J. Virol., 2010, 84, 9301-9309.
-
(2010)
J. Virol.
, vol.84
, pp. 9301-9309
-
-
Clouser, C.1
Patterson, S.2
Mansky, L.3
-
82
-
-
78649651505
-
Viral drug sensitivity testing using quantitative pcr effect of tyrosine kinase inhibitors on polyomavirus bk replication
-
Randhawa, P.; Farasati, N.; Huang, Y.; Mapara, M.; Shapiro, R. Viral Drug Sensitivity Testing Using Quantitative PCR Effect of Tyrosine Kinase Inhibitors on Polyomavirus BK Replication. Am. J. Clin. Pathol., 2010, 134, 916-920.
-
(2010)
Am. J. Clin. Pathol.
, vol.134
, pp. 916-920
-
-
Randhawa, P.1
Farasati, N.2
Huang, Y.3
Mapara, M.4
Shapiro, R.5
-
83
-
-
84872980715
-
-
Yu, S.; Tranchevent, L.; De Moor, B.; Moreau, Y.; DeMoor, B. L(n)-norm Multiple Kernel Learning and Least Squares Support Vector Machines in Kernel-Based Data Fusion For Machine Learning: Methods and Applications in Bioinformatics and Text Mining, 2011, 345, 39-88.
-
(2011)
L(n)norm Multiple Kernel Learning and Least Squares Support Vector Machines in Kernel-Based Data Fusion For Machine Learning: Methods and Applications in Bioinformatics and Text Mining
, vol.345
, pp. 39-88
-
-
Yu, S.1
Tranchevent, L.2
De Moor, B.3
Moreau, Y.4
DeMoor, B.5
|