-
1
-
-
11144341956
-
Chemical space and biology
-
C. M. Dobson, Chemical space and biology, Nature 432, 824 (2004).
-
(2004)
Nature
, vol.432
, pp. 824
-
-
Dobson, C.M.1
-
2
-
-
33644874819
-
From genomics to chemical genomics: New developments in kegg
-
M. Kanehisa, S. Goto, M. Hattori and et al., From genomics to chemical genomics: New developments in kegg, Nucleic Acids Res. 34, D354 (2006).
-
(2006)
Nucleic Acids Res.
, vol.34
, pp. D354
-
-
Kanehisa, M.1
Goto, S.2
Hattori, M.3
-
3
-
-
0034331004
-
Chemical genetics: Ligand-based discovery of gene function
-
B. R. Stockwell, Chemical genetics: Ligand-based discovery of gene function, Nat. Rev. Genet. 1, 116 (2000).
-
(2000)
Nat. Rev. Genet.
, vol.1
, pp. 116
-
-
Stockwell, B.R.1
-
4
-
-
33644876253
-
Database resources of the national center for biotechnology information
-
D. L. Wheeler, T. Barrett, D. A. Benson and et al., Database resources of the national center for biotechnology information, Nucleic Acids Res. 34, D173 (2006).
-
(2006)
Nucleic Acids Res.
, vol.34
, pp. D173
-
-
Wheeler, D.L.1
Barrett, T.2
Benson, D.A.3
-
5
-
-
84861508376
-
Stitch 3: Zooming in on protein-chemical interactions
-
M. Kuhn, D. Szklarczyk, A. Franceschini, C. von Mering, L. J. Jensen and P. Bork, Stitch 3: zooming in on protein-chemical interactions, Nucleic Acids Res. 40, 876 (2012).
-
(2012)
Nucleic Acids Res.
, vol.40
, pp. 876
-
-
Kuhn, M.1
Szklarczyk, D.2
Franceschini, A.3
Von Mering, C.4
Jensen, L.J.5
Bork, P.6
-
6
-
-
0031552362
-
Development and validation for a genetic algorithm for flexible docking
-
G. Jones, P. Willett, R. C. Glen and et al., Development and validation for a genetic algorithm for flexible docking, J. Mol. Biol. 267, 727 (1997).
-
(1997)
J. Mol. Biol.
, vol.267
, pp. 727
-
-
Jones, G.1
Willett, P.2
Glen, R.C.3
-
7
-
-
11644261806
-
Automated docking using a lamarckian genetic algorithm and empirical binding free energy function
-
G. M. Morris, D. S. Goodsell, R. S. Halliday and et al., Automated docking using a lamarckian genetic algorithm and empirical binding free energy function, J. Comput. Chem. 19, 1639 (1998).
-
(1998)
J. Comput. Chem.
, vol.19
, pp. 1639
-
-
Morris, G.M.1
Goodsell, D.S.2
Halliday, R.S.3
-
9
-
-
0038522853
-
Multidimensional chemical genetic analysis of diversity-oriented synthesis-derived deacetylase inhibitors using cell-based assays
-
S. J. Haggarty, K. M. Koeller, J. C. Wong and et al., Multidimensional chemical genetic analysis of diversity-oriented synthesis-derived deacetylase inhibitors using cell-based assays, Chem. Biol. 10, 383 (2003).
-
(2003)
Chem. Biol.
, vol.10
, pp. 383
-
-
Haggarty, S.J.1
Koeller, K.M.2
Wong, J.C.3
-
10
-
-
0037061492
-
Dissecting glucose signalling with diversity-oriented synthesis and small-molecule microarrays
-
F. G. Kuruvilla, A. F. Shamji, S. M. Sternson and et al., Dissecting glucose signalling with diversity-oriented synthesis and small-molecule microarrays, Nature 416, 653 (2002).
-
(2002)
Nature
, vol.416
, pp. 653
-
-
Kuruvilla, F.G.1
Shamji, A.F.2
Sternson, S.M.3
-
11
-
-
33846876695
-
Relating protein pharmacology by ligand chemistry
-
M. J. Keiser, B. L. Roth, B. N. Armbruster and et al., Relating protein pharmacology by ligand chemistry, Nat. Biotech. 25, 197 (2007).
-
(2007)
Nat. Biotech.
, vol.25
, pp. 197
-
-
Keiser, M.J.1
Roth, B.L.2
Armbruster, B.N.3
-
12
-
-
47249146126
-
Drug target identification using side-effect similarity
-
M. Campillos, M. Kuhn, A. C. Gavin and et al., Drug target identification using side-effect similarity, Science 321, 263 (2008).
-
(2008)
Science
, vol.321
, pp. 263
-
-
Campillos, M.1
Kuhn, M.2
Gavin, A.C.3
-
13
-
-
46249090791
-
Prediction of drug-target interaction networks from the integration of chemical and genomic spaces
-
Y. Yamanishi, M. Araki, A. Gutteridge and et al., Prediction of drug-target interaction networks from the integration of chemical and genomic spaces, Bioinformatics 24, i232 (2008).
-
(2008)
Bioinformatics
, vol.24
, pp. i232
-
-
Yamanishi, Y.1
Araki, M.2
Gutteridge, A.3
-
14
-
-
79951729882
-
Combining drug and gene similarity measures for drug-target elucidation
-
L. Perlman, A. Gottlieb, N. Atias, E. Ruppin and R. Sharan, Combining drug and gene similarity measures for drug-target elucidation, J. Comput. Biol. 18(2), 133 (2011).
-
(2011)
J. Comput. Biol.
, vol.18
, Issue.2
, pp. 133
-
-
Perlman, L.1
Gottlieb, A.2
Atias, N.3
Ruppin, E.4
Sharan, R.5
-
15
-
-
34548128437
-
Statistical prediction of protein-chemical interactions based on chemical structure and mass spectrometry data
-
N. Nagamine and Y. Sakakibara, Statistical prediction of protein-chemical interactions based on chemical structure and mass spectrometry data, Bioinformatics 23, 2004 (2007).
-
(2007)
Bioinformatics
, vol.23
, pp. 2004
-
-
Nagamine, N.1
Sakakibara, Y.2
-
16
-
-
52749085437
-
Protein-ligand interaction prediction: An improved chemogenomics approach
-
L. Jacob and J. P. Vert, Protein-ligand interaction prediction: An improved chemogenomics approach, Bioinformatics 24, 2149 (2008).
-
(2008)
Bioinformatics
, vol.24
, pp. 2149
-
-
Jacob, L.1
Vert, J.P.2
-
17
-
-
69849094133
-
Supervised prediction of drug-target interactions using bipartite local models
-
K. Bleakley and Y. Yamanishi, Supervised prediction of drug-target interactions using bipartite local models, Bioinformatics 25, 2397 (2009).
-
(2009)
Bioinformatics
, vol.25
, pp. 2397
-
-
Bleakley, K.1
Yamanishi, Y.2
-
18
-
-
77954230951
-
Drug-target interaction prediction from chemical, genomic and pharmacological data in an integrated framework
-
Y. Yamanishi, M. Kotera, M. Kanehisa and et al., Drug-target interaction prediction from chemical, genomic and pharmacological data in an integrated framework, Bioinformatics 26, i246 (2010).
-
(2010)
Bioinformatics
, vol.26
, pp. i246
-
-
Yamanishi, Y.1
Kotera, M.2
Kanehisa, M.3
-
19
-
-
0019887799
-
Identification of common molecular subsequences
-
T. F. Smith and M. Waterman, Identification of common molecular subsequences, J. Mol. Biol 147, 195 (1981).
-
(1981)
J. Mol. Biol
, vol.147
, pp. 195
-
-
Smith, T.F.1
Waterman, M.2
-
20
-
-
23244434257
-
Learning the kernel function via regularization
-
C. Micchelli and M. Pontil, Learning the kernel function via regularization, J. Mach. Learn. Res. 6, 1099 (2006).
-
(2006)
J. Mach. Learn. Res.
, vol.6
, pp. 1099
-
-
Micchelli, C.1
Pontil, M.2
-
21
-
-
8844278523
-
Learning the kernel matrix with semi-definite programming
-
G. Lanckriet, M. Cristianini, P. Bartlett and et al., Learning the kernel matrix with semi-definite programming, J. Mach. Learn. Res. 5, 27 (2004).
-
(2004)
J. Mach. Learn. Res.
, vol.5
, pp. 27
-
-
Lanckriet, G.1
Cristianini, M.2
Bartlett, P.3
-
22
-
-
0345863907
-
Brenda, the enzyme database: Updates and major new developments
-
I. Schomburg, A. Chang, C. Ebeling and et al., Brenda, the enzyme database: Updates and major new developments, Nucleic Acids Res. 32, D431 (2004).
-
(2004)
Nucleic Acids Res.
, vol.32
, pp. D431
-
-
Schomburg, I.1
Chang, A.2
Ebeling, C.3
-
23
-
-
38549182474
-
Supertarget and matador: Resources for exploring drug-target relationships
-
S. Gunther, M. Kuhn, M. Dunkel and et al., Supertarget and matador: Resources for exploring drug-target relationships, Nucleic Acids Res. 36, D919 (2008).
-
(2008)
Nucleic Acids Res.
, vol.36
, pp. D919
-
-
Gunther, S.1
Kuhn, M.2
Dunkel, M.3
-
24
-
-
38549151817
-
Drugbank: A knowledgebase for drugs, drug actions and drug targets
-
D. S. Wishart, C. Knox, A. C. Guo and et al., Drugbank: A knowledgebase for drugs, drug actions and drug targets, Nucleic Acids Res. 36, D901 (2007).
-
(2007)
Nucleic Acids Res.
, vol.36
, pp. D901
-
-
Wishart, D.S.1
Knox, C.2
Guo, A.C.3
-
25
-
-
85040242730
-
Fast kernels for string and tree matching
-
S. V. N. Vishwanathan and A. J. Smola, Fast kernels for string and tree matching, NIPS 15, 569 (2002).
-
(2002)
NIPS
, vol.15
, pp. 569
-
-
Vishwanathan, S.V.N.1
Smola, A.J.2
-
27
-
-
80053459782
-
Efficient sparse modeling with automatic feature grouping
-
W. Zhong and J. Kwok, Efficient sparse modeling with automatic feature grouping, ICML 28, 9 (2011).
-
(2011)
ICML
, vol.28
, pp. 9
-
-
Zhong, W.1
Kwok, J.2
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