-
1
-
-
5844297152
-
Theory of reproducing kernels
-
Aronszajn,N. (1950) Theory of reproducing kernels. Trans. Am. Math. Soc., 68, 337-404.
-
(1950)
Trans. Am. Math. Soc
, vol.68
, pp. 337-404
-
-
Aronszajn, N.1
-
2
-
-
0037248869
-
Prints and its automatic supplement, preprints
-
Attwood,T.K. et al. (2003) Prints and its automatic supplement, preprints. Nucleic Acids Res., 31, 400-402.
-
(2003)
Nucleic Acids Res
, vol.31
, pp. 400-402
-
-
Attwood, T.K.1
-
3
-
-
34250813174
-
One- to four-dimensional kernels for virtual screening and the prediction of physical, chemical, and biological properties
-
Azencott,C.-A. et al. (2007) One- to four-dimensional kernels for virtual screening and the prediction of physical, chemical, and biological properties. J. Chem. Inf. Model, 47, 965-974.
-
(2007)
J. Chem. Inf. Model
, vol.47
, pp. 965-974
-
-
Azencott, C.-A.1
-
4
-
-
0036827077
-
Property-based design of GPCR-targeted library
-
Balakin,K.V. et al. (2002) Property-based design of GPCR-targeted library. J. Chem. Inf. Comput. Sci., 42, 1332-1342.
-
(2002)
J. Chem. Inf. Comput. Sci
, vol.42
, pp. 1332-1342
-
-
Balakin, K.V.1
-
5
-
-
0034801665
-
G protein-coupled receptor drug discovery: Implications from the crystal structure of rhodopsin
-
Ballesteros,J. and Palczewski,K. (2001) G protein-coupled receptor drug discovery: Implications from the crystal structure of rhodopsin. Curr. Opin. Drug Discov. Devel., 4, 561-574.
-
(2001)
Curr. Opin. Drug Discov. Devel
, vol.4
, pp. 561-574
-
-
Ballesteros, J.1
Palczewski, K.2
-
6
-
-
26944463088
-
Virtual screen for ligands of orphan g protein-coupled receptors
-
Bock,J.R. and Gough,D.A. (2005) Virtual screen for ligands of orphan g protein-coupled receptors. J. Chem. Inf. Model, 45, 1402-1414.
-
(2005)
J. Chem. Inf. Model
, vol.45
, pp. 1402-1414
-
-
Bock, J.R.1
Gough, D.A.2
-
7
-
-
33745771638
-
Protein function prediction via graph kernels
-
Borgwardt,K. et al. (2005) Protein function prediction via graph kernels. Bioinformatics, 21(Suppl. 1), i47-i56.
-
(2005)
Bioinformatics
, vol.21
, Issue.SUPPL. 1
-
-
Borgwardt, K.1
-
8
-
-
34548585627
-
Shortest-path kernels on graphs
-
IEEE Computer Society, Washington, DC, USA, pp
-
Borgwardt,K.M. and Kriegel,H.-P. (2005) Shortest-path kernels on graphs. In Proceedings of the Fifth International Conference on Data Mining IEEE Computer Society, Washington, DC, USA, pp. 74-81.
-
(2005)
Proceedings of the Fifth International Conference on Data Mining
, pp. 74-81
-
-
Borgwardt, K.M.1
Kriegel, H.-P.2
-
10
-
-
0036606241
-
Predicting ADME properties in silico: Methods and models
-
Butina,D. et al. (2002) Predicting ADME properties in silico: methods and models. Drug Discov. Today, 7(Suppl. 11), S83-S88.
-
(2002)
Drug Discov. Today
, vol.7
, Issue.SUPPL. 11
-
-
Butina, D.1
-
11
-
-
0345548661
-
Comparison of support vector machine and artificial neural network systems for drug/nondrug classification
-
Byvatov,E. et al. (2003) Comparison of support vector machine and artificial neural network systems for drug/nondrug classification. J. Chem. Inf. Comput. Sci., 43, 1882-1889.
-
(2003)
J. Chem. Inf. Comput. Sci
, vol.43
, pp. 1882-1889
-
-
Byvatov, E.1
-
12
-
-
23244459989
-
The context-tree kernel for strings
-
Cuturi,M. and Vert,J.-P. (2005) The context-tree kernel for strings. Neural Netw., 18, 1111-1123.
-
(2005)
Neural Netw
, vol.18
, pp. 1111-1123
-
-
Cuturi, M.1
Vert, J.-P.2
-
13
-
-
9644283060
-
Predicting enzyme class from protein structure without alignments
-
Dobson,P. and Doig,A. (2005) Predicting enzyme class from protein structure without alignments. J. Mol. Biol., 345, 187-199.
-
(2005)
J. Mol. Biol
, vol.345
, pp. 187-199
-
-
Dobson, P.1
Doig, A.2
-
14
-
-
33646251586
-
Collaborative filtering on a family of biological targets
-
Erhan,D. et al. (2006) Collaborative filtering on a family of biological targets. J. Chem. Inf. Model, 46, 626-635.
-
(2006)
J. Chem. Inf. Model
, vol.46
, pp. 626-635
-
-
Erhan, D.1
-
15
-
-
21844456299
-
Learning multiple tasks with kernel methods
-
Evgeniou,T. et al. (2005) Learning multiple tasks with kernel methods. J. Mach. Learn. Res., 6, 615-637.
-
(2005)
J. Mach. Learn. Res
, vol.6
, pp. 615-637
-
-
Evgeniou, T.1
-
16
-
-
22944479010
-
A physicogenetic method to assign ligand-binding relationships between 7tm receptors
-
Frimurer,T.M. et al. (2005) A physicogenetic method to assign ligand-binding relationships between 7tm receptors. Bioorg. Med. Chem. Lett., 15, 3707-3712.
-
(2005)
Bioorg. Med. Chem. Lett
, vol.15
, pp. 3707-3712
-
-
Frimurer, T.M.1
-
17
-
-
9444266406
-
On graph kernels: Hardness results and efficient alternatives
-
Schölkopf,B. and Warmuth,M, eds Proceedings of the Sixteenth Annual Conference on Computational Learning Theory and the Seventh Annual Workshop on Kernel Machines. of, Springer, Heidelberg, pp
-
Gärtner,T. et al. (2003) On graph kernels: Hardness results and efficient alternatives. In Schölkopf,B. and Warmuth,M. (eds) Proceedings of the Sixteenth Annual Conference on Computational Learning Theory and the Seventh Annual Workshop on Kernel Machines. Vol. 2777 of Lecture Notes in Computer Science. Springer, Heidelberg, pp. 129-143.
-
(2003)
Lecture Notes in Computer Science
, vol.2777
, pp. 129-143
-
-
Gärtner, T.1
-
18
-
-
10244231694
-
-
Gasteiger,J. and Engel,T, eds, Wiley
-
Gasteiger,J. and Engel,T. (eds) (2003) Chemoinformatics: A Textbook Wiley.
-
(2003)
Chemoinformatics: A Textbook
-
-
-
19
-
-
0034464742
-
Uncovering molecular mechanisms involved in activation of g protein-coupled receptors
-
Gether,U. (2000) Uncovering molecular mechanisms involved in activation of g protein-coupled receptors. Endocr. Rev., 21, 90-113.
-
(2000)
Endocr. Rev
, vol.21
, pp. 90-113
-
-
Gether, U.1
-
20
-
-
0036606483
-
Principles of docking: An overview of search algorithm and a guide to scoring functions
-
Halperin,I. et al. (2002) Principles of docking: An overview of search algorithm and a guide to scoring functions. Proteins, 47 409-443.
-
(2002)
Proteins
, vol.47
, pp. 409-443
-
-
Halperin, I.1
-
23
-
-
0003410183
-
-
International Union of Biochemistry and Molecular Biology , Academic Press, California, USA
-
International Union of Biochemistry and Molecular Biology (1992) Enzyme Nomenclature 1992. Academic Press, California, USA.
-
(1992)
Enzyme Nomenclature 1992
-
-
-
24
-
-
34848824629
-
-
Ivanciuc,O. (2007) Applications of support vector machines in chemistry. In Lipkowitz,K.B. and Cundari,T.R. (eds) Reviews in Computational Chemistry. 23. Wiley-VCH, Weiheim, pp. 291-400.
-
Ivanciuc,O. (2007) Applications of support vector machines in chemistry. In Lipkowitz,K.B. and Cundari,T.R. (eds) Reviews in Computational Chemistry. Vol. 23. Wiley-VCH, Weiheim, pp. 291-400.
-
-
-
-
25
-
-
0034048878
-
A discriminative framework for detecting remote protein homologies
-
Jaakkola,T. et al. (2000) A discriminative framework for detecting remote protein homologies. J. Comput. Biol., 7, 95-114.
-
(2000)
J. Comput. Biol
, vol.7
, pp. 95-114
-
-
Jaakkola, T.1
-
26
-
-
38849139819
-
Efficient peptide-MHC-I binding prediction for alleles. with few known binders
-
Jacob,L. and Vert,J.-P. (2008) Efficient peptide-MHC-I binding prediction for alleles. with few known binders. Bioinformatics, 24, 358-366.
-
(2008)
Bioinformatics
, vol.24
, pp. 358-366
-
-
Jacob, L.1
Vert, J.-P.2
-
27
-
-
52749098733
-
Virtual screening of GPCRs: An in silico chemogenomics approach
-
in press
-
Jacob,L. et al. (2008) Virtual screening of GPCRs: An in silico chemogenomics approach. BMC Bioinformatics (in press).
-
(2008)
BMC Bioinformatics
-
-
Jacob, L.1
-
28
-
-
51349117226
-
Chemical Genomics: Small Molecule Probes to Study Cellular Function
-
Jaroch,S.E. and Weinmann,H, eds, Springer, Berlin
-
Jaroch,S.E. and Weinmann,H. (eds) (2006) Chemical Genomics: Small Molecule Probes to Study Cellular Function. Ernst Schering Research Foundation Workshop. Springer, Berlin.
-
(2006)
Ernst Schering Research Foundation Workshop
-
-
-
29
-
-
0036081062
-
The KEGG databases at GenomeNet
-
Kanehisa,M. et al. (2002) The KEGG databases at GenomeNet. Nucleic Acids Res., 30, 42-46.
-
(2002)
Nucleic Acids Res
, vol.30
, pp. 42-46
-
-
Kanehisa, M.1
-
30
-
-
0345863935
-
-
The KEGG resource for deciphering the genome, Database issue, D277-D280
-
Kanehisa,M. et al. (2004) The KEGG resource for deciphering the genome. Nucleic Acids Res., 32(Database issue), D277-D280.
-
(2004)
Nucleic Acids Res
, vol.32
-
-
Kanehisa, M.1
-
31
-
-
1942516986
-
Marginalized kernels between labeled graphs
-
Faucett,T. and Mishra,N, eds, AAAI Press, pp
-
Kashima,H. et al. (2003) Marginalized kernels between labeled graphs. In Faucett,T. and Mishra,N. (eds), Proceedings of the Twentieth International Conference on Machine Learning, AAAI Press, pp. 321-328.
-
(2003)
Proceedings of the Twentieth International Conference on Machine Learning
, pp. 321-328
-
-
Kashima, H.1
-
32
-
-
33750317385
-
Kernels for graphs
-
Schölkopf,B. et al, eds, MIT Press, pp
-
Kashima,H. et al. (2004) Kernels for graphs. In Schölkopf,B. et al. (eds) Kernel Methods in Computational Biology. MIT Press, pp. 155-170.
-
(2004)
Kernel Methods in Computational Biology
, pp. 155-170
-
-
Kashima, H.1
-
33
-
-
67650731066
-
Chemogenomics approaches to ligand design
-
Ch. 7, Wiley-VCH, Great Britain, pp
-
Klabunde,T. (2006) Chemogenomics approaches to ligand design. In Ligand Design for G Protein-coupled Receptors. Ch. 7, Wiley-VCH, Great Britain, pp. 115-135.
-
(2006)
Ligand Design for G Protein-coupled Receptors
, pp. 115-135
-
-
Klabunde, T.1
-
34
-
-
34548319109
-
Chemogenomic approaches to drug discovery: Similar receptors bind similar ligands
-
Klabunde,T. (2007) Chemogenomic approaches to drug discovery: Similar receptors bind similar ligands. Br. J. Pharmacol., 152, 5-7.
-
(2007)
Br. J. Pharmacol
, vol.152
, pp. 5-7
-
-
Klabunde, T.1
-
35
-
-
26944485524
-
An automated system for the analysis of g protein-coupled receptor transmembrane binding pockets: Alignment, receptor-based pharmacophores, and their application
-
Kratochwil,N.A. et al. (2005) An automated system for the analysis of g protein-coupled receptor transmembrane binding pockets: Alignment, receptor-based pharmacophores, and their application. J. Chem. Inf. Model, 45, 1324-1336.
-
(2005)
J. Chem. Inf. Model
, vol.45
, pp. 1324-1336
-
-
Kratochwil, N.A.1
-
36
-
-
22544448378
-
Profile-based string kernels for remote homology detection and motif extraction
-
Kuang,R. et al. (2005) Profile-based string kernels for remote homology detection and motif extraction. J. Bioinform. Comput. Biol. 3, 527-550.
-
(2005)
J. Bioinform. Comput. Biol
, vol.3
, pp. 527-550
-
-
Kuang, R.1
-
37
-
-
17844408611
-
Chemo-Genomics in Drug Discovery: A Medicinal Chemistry Perspective
-
Kubinyi,H. et al, eds, Wiley-VCH, New York
-
Kubinyi,H. et al. (eds) (2004) Chemo-Genomics in Drug Discovery: A Medicinal Chemistry Perspective. Methods and Principles in Medicinal Chemistry. Wiley-VCH, New York.
-
(2004)
Methods and Principles in Medicinal Chemistry
-
-
-
38
-
-
8844263749
-
A statistical framework for genomic data fusion
-
Lanckriet,G.R.G. et al. (2004) A statistical framework for genomic data fusion. Bioinformatics, 20, 2626-2635.
-
(2004)
Bioinformatics
, vol.20
, pp. 2626-2635
-
-
Lanckriet, G.R.G.1
-
39
-
-
0036358995
-
The spectrum kernel: A string kernel for SVM protein classification
-
Altman,R.B. et al, eds, World Scientific, Singapore, pp
-
Leslie,C. et al. (2002) The spectrum kernel: A string kernel for SVM protein classification. In Altman,R.B. et al. (eds) Proceedings of the Pacific Symposium on Biocomputing 2002. World Scientific, Singapore, pp. 564-575.
-
(2002)
Proceedings of the Pacific Symposium on Biocomputing
, pp. 564-575
-
-
Leslie, C.1
-
40
-
-
1542714925
-
Mismatch string kernels for discriminative protein classification
-
Leslie,C.S. et al. (2004) Mismatch string kernels for discriminative protein classification. Bioinformatics, 20, 467-476.
-
(2004)
Bioinformatics
, vol.20
, pp. 467-476
-
-
Leslie, C.S.1
-
41
-
-
52949090429
-
Technical Report ccsd-00095488
-
HAL
-
Mahé,P. and Vert,J.-P. (2006) Graph kernels based on tree patterns for molecules. Technical Report ccsd-00095488, HAL.
-
(2006)
-
-
Mahé, P.1
Vert, J.-P.2
-
42
-
-
23844458045
-
Graph kernels for molecular structure-activity relationship analysis with support vector machines
-
Mahé,P. et al. (2005) Graph kernels for molecular structure-activity relationship analysis with support vector machines. J. Chem. Inf. Model, 45, 939-951.
-
(2005)
J. Chem. Inf. Model
, vol.45
, pp. 939-951
-
-
Mahé, P.1
-
43
-
-
33750294461
-
The pharmacophore kernel for virtual screening with support vector machines
-
Mahé,P. et al. (2006) The pharmacophore kernel for virtual screening with support vector machines. J. Chem. Inf. Model, 46 2003-2014.
-
(2006)
J. Chem. Inf. Model
, vol.46
, pp. 2003-2014
-
-
Mahé, P.1
-
44
-
-
0035498999
-
The impact of informatics and computational chemistry on synthesis and screening
-
Manly,C. et al. (2001) The impact of informatics and computational chemistry on synthesis and screening. Drug Discov. Today, 6, 1101-1110.
-
(2001)
Drug Discov. Today
, vol.6
, pp. 1101-1110
-
-
Manly, C.1
-
45
-
-
34249855107
-
A structural alignment kernel for protein structures
-
Qiu,J. et al. (2007) A structural alignment kernel for protein structures. Bioinformatics, 23, 1090-1098.
-
(2007)
Bioinformatics
, vol.23
, pp. 1090-1098
-
-
Qiu, J.1
-
46
-
-
23844480138
-
Graph kernels for chemical informatics
-
Ralaivola,L. et al. (2005) Graph kernels for chemical informatics. Neural Netw., 18, 1093-1110.
-
(2005)
Neural Netw
, vol.18
, pp. 1093-1110
-
-
Ralaivola, L.1
-
47
-
-
34548317031
-
Chemogenomic approaches to rational drug design
-
Rognan,D. (2007) Chemogenomic approaches to rational drug design. Br. J. Pharmacol., 152, 38-52.
-
(2007)
Br. J. Pharmacol
, vol.152
, pp. 38-52
-
-
Rognan, D.1
-
48
-
-
0003408420
-
-
MIT Press, Cambridge, MA
-
Schölkopf,B. and Smola,A.J. (2002) Learning with Kernels: Support Vector Machines, Regularization, Optimization, and Beyond. MIT Press, Cambridge, MA.
-
(2002)
Learning with Kernels: Support Vector Machines, Regularization, Optimization, and Beyond
-
-
Schölkopf, B.1
Smola, A.J.2
-
52
-
-
1642338802
-
Marginalized kernels for biological sequences
-
Tsuda,K. et al. (2002) Marginalized kernels for biological sequences. Bioinformatics, 18, S268-S275.
-
(2002)
Bioinformatics
, vol.18
-
-
Tsuda, K.1
-
54
-
-
11244331236
-
A tree kernel to analyze phylogenetic profiles
-
Vert,J.-P. (2002) A tree kernel to analyze phylogenetic profiles. Bioinformatics, 18, S276-S284.
-
(2002)
Bioinformatics
, vol.18
-
-
Vert, J.-P.1
-
55
-
-
10844256122
-
Local alignment kernels for biological sequences
-
Schölkopf,B. et al, eds, MIT Press, Cambridge, Massachussetts, pp
-
Vert,J.-P. et al. (2004) Local alignment kernels for biological sequences. In Schölkopf,B. et al. (eds) Kernel Methods in Computational Biology. MIT Press, Cambridge, Massachussetts, pp. 131-154.
-
(2004)
Kernel Methods in Computational Biology
, pp. 131-154
-
-
Vert, J.-P.1
|