-
1
-
-
0034677966
-
Drug discovery: A historical perspective
-
DOI 10.1126/science.287.5460.1960
-
Drews, J. Drug discovery: a historical perspective. Science, 2000, 287, 1960-1964. (Pubitemid 30158662)
-
(2000)
Science
, vol.287
, Issue.5460
, pp. 1960-1964
-
-
Drews, J.1
-
2
-
-
33749234216
-
Drugs, their targets and the nature and number of drug targets
-
DOI 10.1038/nrd2132, PII NRD2132
-
Imming, P.; Sinning, C.; Meyer, A. Drugs, their targets and the nature and number of drug targets. Nat. Rev. Drug Discov., 2006, 5, 821-834. (Pubitemid 44480536)
-
(2006)
Nature Reviews Drug Discovery
, vol.5
, Issue.10
, pp. 821-834
-
-
Imming, P.1
Sinning, C.2
Meyer, A.3
-
3
-
-
0037061492
-
Dissecting glucose signalling with diversity-oriented synthesis and small-molecule microarrays
-
DOI 10.1038/416653a
-
Kuruvilla, F.G.; Shamji, A.F.; Sternson, S.M.; Hergenrother, P.J.; Schreiber, S.L. Dissecting glucose signalling with diversity-oriented synthesis and small-molecule microarrays. Nature, 2002, 416, 653-657. (Pubitemid 34406768)
-
(2002)
Nature
, vol.416
, Issue.6881
, pp. 653-657
-
-
Kuruvilla, F.G.1
Shamji, A.F.2
Sternson, S.M.3
Hergenrother, P.J.4
Schreiber, S.L.5
-
4
-
-
0038522853
-
Multidimensional chemical genetic analysis of diversity-oriented synthesis-derived deacetylase inhibitors using cell-based assays
-
DOI 10.1016/S1074-5521(03)00095-4
-
Haggarty, S.J.; Koeller, K.M.; Wong, J.C.; Butcher, R.A.; Schreiber, S.L. Multidimensional chemical genetic analysis of diversity oriented synthesisderived deacetylase inhibitors using cell-based assays. Chem. Biol., 2003, 10, 383-396. (Pubitemid 36610312)
-
(2003)
Chemistry and Biology
, vol.10
, Issue.5
, pp. 383-396
-
-
Haggarty, S.J.1
Koeller, K.M.2
Wong, J.C.3
Butcher, R.A.4
Schreiber, S.L.5
-
5
-
-
33846155913
-
Structure-based maximal affinity model predicts small-molecule druggability
-
DOI 10.1038/nbt1273, PII NBT1273
-
Cheng, A.C.; Coleman, R.G.; Smyth, K.T.; Cao, Q.; Soulard, P.; Caffrey, D.R.; Salzberg, A.C.; Huang, E.S. Structure-based maximal affinity model predicts small molecule druggability. Nat. Biotechnol., 2007, 25, 71-75. (Pubitemid 46087905)
-
(2007)
Nature Biotechnology
, vol.25
, Issue.1
, pp. 71-75
-
-
Cheng, A.C.1
Coleman, R.G.2
Smyth, K.T.3
Cao, Q.4
Soulard, P.5
Caffrey, D.R.6
Salzberg, A.C.7
Huang, E.S.8
-
6
-
-
51049121625
-
Text mining for biology-The way forward: Opinions from leading scientists
-
Altman, R.B.; Bergman, C.M.; Blake, J.; Blaschke, C.; Cohen, A.; Gannon, F.; Grivell, L.; Hahn, U.; Hersh, W.; Hirschman, L.; Jensen, L.J.; Krallinger, M.; Mons, B.; O'Donoghue, S.I.; Peitsch, M.C.; Rebholz-Schuhmann, D.; Shatkay, H.; Valencia, A. Text mining for biology-the way forward: opinions from leading scientists. Genome Biol., 2008, 9, S7.
-
(2008)
Genome Biol.
, vol.9
-
-
Altman, R.B.1
Bergman, C.M.2
Blake, J.3
Blaschke, C.4
Cohen, A.5
Gannon, F.6
Grivell, L.7
Hahn, U.8
Hersh, W.9
Hirschman, L.10
Jensen, L.J.11
Krallinger, M.12
Mons, B.13
O'Donoghue, S.I.14
Peitsch, M.C.15
Rebholz-Schuhmann, D.16
Shatkay, H.17
Valencia, A.18
-
7
-
-
58849152212
-
Target discovery from data mining approaches
-
Yang, Y.; Adelstein, S.J.; Kassis, A.I. Target discovery from data mining approaches. Drug Discov. Today, 2009, 14,147-154.
-
(2009)
Drug Discov. Today
, vol.14
, pp. 147-154
-
-
Yang, Y.1
Adelstein, S.J.2
Kassis, A.I.3
-
8
-
-
77956953029
-
Semi-supervised drug-protein interaction prediction from heterogeneous biological spaces
-
Xia, Z.; Wu, L.Y.; Zhou, X.; Wong, S.T. Semi-supervised drug-protein interaction prediction from heterogeneous biological spaces. BMC. Syst Biol., 2010, 4, S6.
-
(2010)
BMC. Syst Biol.
, vol.4
-
-
Xia, Z.1
Wu, L.Y.2
Zhou, X.3
Wong, S.T.4
-
9
-
-
46249090791
-
Prediction of drug-target interaction networks from the integration of chemical and genomic spaces
-
DOI 10.1093/bioinformatics/btn162
-
Yamanishi, Y.; Araki, M.; Cutteridge, A.; Honda, W.; Kanehisa, M. Prediction of drug-target interaction networks from the integration of chemical and genomic spaces. Bioinformatics, 2008, 24, i232-i240. (Pubitemid 351911678)
-
(2008)
Bioinformatics
, vol.24
, Issue.13
-
-
Yamanishi, Y.1
Araki, M.2
Gutteridge, A.3
Honda, W.4
Kanehisa, M.5
-
10
-
-
69849094133
-
Supervised prediction of drug-target interactions using bipartite local models
-
Bleakley, K.; Yamanishi, Y. Supervised prediction of drug-target interactions using bipartite local models. Bioinformatics, 2009, 25, 2397-2403.
-
(2009)
Bioinformatics
, vol.25
, pp. 2397-2403
-
-
Bleakley, K.1
Yamanishi, Y.2
-
11
-
-
59149084486
-
Predicting antimicrobial drugs and targets with the MARCH-INSIDE approach
-
Gonzalez-Diaz, H.; Prado-Prado, F.; Ubeira, F. M. Predicting antimicrobial drugs and targets with the MARCH-INSIDE approach. Curr Top Med Chem., 2008, 8, 1676-1690.
-
(2008)
Curr Top Med Chem.
, vol.8
, pp. 1676-1690
-
-
Gonzalez-Diaz, H.1
Prado-Prado, F.2
Ubeira, F.M.3
-
12
-
-
79952282850
-
Using entropy of drug and protein graphs to predict FDA drug-target network: Theoretic-experimental study of MAO inhibitors and hemoglobin peptides from Fasciola hepatica
-
Prado-Prado, F.; Garcia-Mera, X.; Abeijon, P.; Alonso, N.; Caamano, O.; Yanez, M.; Garate, T.; Mezo, M.; Gonzalez-Warleta, M.; Muino, L.; Ubeira, F. M.; Gonzalez-Diaz, H. Using entropy of drug and protein graphs to predict FDA drug-target network: Theoretic-experimental study of MAO inhibitors and hemoglobin peptides from Fasciola hepatica. Eur J Med Chem., 2011, 46, 1074-1094.
-
(2011)
Eur J Med Chem.
, vol.46
, pp. 1074-1094
-
-
Prado-Prado, F.1
Garcia-Mera, X.2
Abeijon, P.3
Alonso, N.4
Caamano, O.5
Yanez, M.6
Garate, T.7
Mezo, M.8
Gonzalez-Warleta, M.9
Muino, L.10
Ubeira, F.M.11
Gonzalez-Diaz, H.12
-
13
-
-
67249095008
-
Alignment-Free Prediction of a Drug-Target Complex Network Based on Parameters of Drug Connectivity and Protein Sequence of Receptors
-
Vina, D.; Uriarte, E.; Orallo, F.; Gonzalez-Diaz, H. Alignment-Free Prediction of a Drug-Target Complex Network Based on Parameters of Drug Connectivity and Protein Sequence of Receptors. Mol Pharm., 2009, 6, 825-835.
-
(2009)
Mol Pharm.
, vol.6
, pp. 825-835
-
-
Vina, D.1
Uriarte, E.2
Orallo, F.3
Gonzalez-Diaz, H.4
-
14
-
-
70349895744
-
Prediction of enzyme classes from 3D structure: A general model and examples of experimental-theoretic scoring of peptide mass fingerprints of Leishmania proteins
-
Concu, R.; Dea-Ayuela, M. A.; Perez-Montoto, L. G.; Bolas-Fernandez, F.; Prado-Prado, F. J.; Podda, G.; Uriarte, E.; Ubeira, F. M.; Gonzalez-Diaz, H. Prediction of enzyme classes from 3D structure: a general model and examples of experimental-theoretic scoring of peptide mass fingerprints of Leishmania proteins. J Proteome Res., 2009, 8, 4372-4382.
-
(2009)
J Proteome Res.
, vol.8
, pp. 4372-4382
-
-
Concu, R.1
Dea-Ayuela, M.A.2
Perez-Montoto, L.G.3
Bolas-Fernandez, F.4
Prado-Prado, F.J.5
Podda, G.6
Uriarte, E.7
Ubeira, F.M.8
Gonzalez-Diaz, H.9
-
15
-
-
70449513218
-
Complex network spectral moments for ATCUN motif DNA cleavage: First predictive study on proteins of human pathogen parasites
-
Munteanu, C. R.; Vazquez, J. M.; Dorado, J.; Sierra, A. P.; Sanchez-Gonzalez, A.; Prado-Prado, F. J.; Gonzalez-Diaz, H. Complex network spectral moments for ATCUN motif DNA cleavage: first predictive study on proteins of human pathogen parasites. J Proteome Res., 2009, 8, 5219-5228.
-
(2009)
J Proteome Res.
, vol.8
, pp. 5219-5228
-
-
Munteanu, C.R.1
Vazquez, J.M.2
Dorado, J.3
Sierra, A.P.4
Sanchez-Gonzalez, A.5
Prado-Prado, F.J.6
Gonzalez-Diaz, H.7
-
16
-
-
40549136471
-
Proteomics networks and connectivity indices
-
Gonzalez-Diaz, H.; Gonzalez-Diaz, Y.; Santana, L.; Ubeira, F. M.; Uriarte, E. Proteomics, networks and connectivity indices. Proteomics, 2008, 8, 750-778.
-
(2008)
Proteomics
, vol.8
, pp. 750-778
-
-
Gonzalez-Diaz, H.1
Gonzalez-Diaz, Y.2
Santana, L.3
Ubeira, F.M.4
Uriarte, E.5
-
17
-
-
79953716848
-
MINDBEST: Web server for drugs and target discovery; Design, synthesis, and assay of MAO-B inhibitors and theoretical-experimental study of G3PDH protein from trichomonas gallinae
-
Gonzalez-Diaz, H.; Prado-Prado, F.; Garcia-Mera, X.; Alonso, N.; Abeijon, P.; Caamano, O.; Yanez, M.; Munteanu, C. R.; Pazos, A.; Dea-Ayuela, M. A.; Gomez-Munoz, M. T.; Garijo, M. M.; Sansano, J.; Ubeira, F. M. MINDBEST: Web Server for Drugs and Target Discovery; Design, Synthesis, and Assay of MAO-B Inhibitors and Theoretical-Experimental Study of G3PDH Protein from Trichomonas gallinae. J Proteome Res., 2011, 10, 1698-1718.
-
(2011)
J Proteome Res.
, vol.10
, pp. 1698-1718
-
-
Gonzalez-Diaz, H.1
Prado-Prado, F.2
Garcia-Mera, X.3
Alonso, N.4
Abeijon, P.5
Caamano, O.6
Yanez, M.7
Munteanu, C.R.8
Pazos, A.9
Dea-Ayuela, M.A.10
Gomez-Munoz, M.T.11
Garijo, M.M.12
Sansano, J.13
Ubeira, F.M.14
-
18
-
-
79952327303
-
NL MIND-BEST: A web server for ligands and proteins discovery-Theoretic- experimental study of proteins of Giardia lamblia and new compounds active against Plasmodium falciparum
-
Gonzalez-Diaz, H.; Prado-Prado, F.; Sobarzo-Sanchez, E.; Haddad, M.; Maurel Chevalley, S.; Valentin, A.; Quetin-Leclercq, J.; Dea-Ayuela, M. A.; Teresa Gomez-Munos, M.; Munteanu, C. R.; Jose Torres-Labandeira, J.; Garcia-Mera, X.; Tapia, R. A.; Ubeira, F. M. NL MIND-BEST: A web server for ligands and proteins discovery-Theoretic-experimental study of proteins of Giardia lamblia and new compounds active against Plasmodium falciparum. J Theorl Biol., 2011, 276, 229-249.
-
(2011)
J Theorl Biol.
, vol.276
, pp. 229-249
-
-
Gonzalez-Diaz, H.1
Prado-Prado, F.2
Sobarzo-Sanchez, E.3
Haddad, M.4
Maurel Chevalley, S.5
Valentin, A.6
Quetin-Leclercq, J.7
Dea-Ayuela, M.A.8
Teresa Gomez-Munos, M.9
Munteanu, C.R.10
Jose Torres-Labandeira, J.11
Garcia-Mera, X.12
Tapia, R.A.13
Ubeira, F.M.14
-
19
-
-
79955637731
-
Using the TOPS-MODE approach to fit multitarget QSAR models for tyrosine kinases inhibitors
-
Marzaro, G.; Chilin, A.; Guiotto, A.; Uriarte, E.; Brun, P.; Castagliuolo, I.; Tonus, F.; Gonzalez-Diaz, H. Using the TOPS-MODE approach to fit multitarget QSAR models for tyrosine kinases inhibitors. Eur J Med Chem., 2011, 46(6), 2185-2192.
-
(2011)
Eur J Med Chem.
, vol.46
, Issue.6
, pp. 2185-2192
-
-
Marzaro, G.1
Chilin, A.2
Guiotto, A.3
Uriarte, E.4
Brun, P.5
Castagliuolo, I.6
Tonus, F.7
Gonzalez-Diaz, H.8
-
20
-
-
77950448057
-
Predicting drug-target interaction networks based on functional groups and biological features
-
He, Z.; Zhang, J.; Shi, X.H.; Hu, L.L.; Kong, X.; Cai, Y.D.; Chou, K.C. Predicting drug-target interaction networks based on functional groups and biological features. PLoS One, 2010, 5, e9603.
-
(2010)
PLoS One
, vol.5
-
-
He, Z.1
Zhang, J.2
Shi, X.H.3
Hu, L.L.4
Kong, X.5
Cai, Y.D.6
Chou, K.C.7
-
21
-
-
35748932917
-
A review of feature selection techniques in bioinformatics
-
DOI 10.1093/bioinformatics/btm344
-
Saeys, Y.; Inza, I.; Larranaga, P. A review of feature selection techniques in bioinformatics. Bioinformatics, 2007, 23, 2507-2517. (Pubitemid 350048351)
-
(2007)
Bioinformatics
, vol.23
, Issue.19
, pp. 2507-2517
-
-
Saeys, Y.1
Inza, I.2
Larranaga, P.3
-
22
-
-
33644874819
-
From genomics to chemical genomics: New developments in KEGG
-
Kanehisa, M.; Goto, S.; Hattori, M.; Aoki-Kinoshita, K.F.; Itoh, M.; Kawashima, S.; Katayama, T.; Araki, M.; Hirakawa, M. From genomics to chemical genomics: new developments in KEGG. Nucleic Acids Res., 2006, 34, D354-D357.
-
(2006)
Nucleic Acids Res.
, vol.34
-
-
Kanehisa, M.1
Goto, S.2
Hattori, M.3
Aoki-Kinoshita, K.F.4
Itoh, M.5
Kawashima, S.6
Katayama, T.7
Araki, M.8
Hirakawa, M.9
-
23
-
-
0141843591
-
Development of a chemical structure comparison method for integrated analysis of chemical and genomic information in the metabolic pathways
-
DOI 10.1021/ja036030u
-
Hattori, M.; Okuno, Y.; Goto, S.; Kanehisa, M. Development of a chemical structure comparison method for integrated analysis of chemical and genomic information in the metabolic pathways. J. Am. Chem. Soc., 2003, 125, 11853-11865. (Pubitemid 37175419)
-
(2003)
Journal of the American Chemical Society
, vol.125
, Issue.39
, pp. 11853-11865
-
-
Hattori, M.1
Okuno, Y.2
Goto, S.3
Kanehisa, M.4
-
24
-
-
14944357243
-
Heuristics for chemical compound matching
-
Hattori, M.; Okuno, Y.; Goto, S.; Kanehisa, M. Heuristics for Chemical Compound Matching. Genome Inform., 2003, 14,144-155.
-
(2003)
Genome Inform.
, vol.14
, pp. 144-155
-
-
Hattori, M.1
Okuno, Y.2
Goto, S.3
Kanehisa, M.4
-
25
-
-
0019887799
-
Identification of common molecular subsequences
-
Smith, T.F.; Waterman, M. Identification of common molecular subsequences. J. Mol. Biol., 1981, 147,195-197.
-
(1981)
J. Mol. Biol.
, vol.147
, pp. 195-197
-
-
Smith, T.F.1
Waterman, M.2
-
26
-
-
0025183708
-
Basic local alignment search tool
-
Altschul, S.F.; Gish, W.; Miller, W., Myers, E.W., Lipman, D.J. Basic local alignment search tool. J. Mol. Biol., 1990, 215, 403-410.
-
(1990)
J. Mol. Biol.
, vol.215
, pp. 403-410
-
-
Altschul, S.F.1
Gish, W.2
Miller, W.3
Myers, E.W.4
Lipman, D.J.5
-
27
-
-
58749107670
-
Unified QSAR approach to antimicrobials. 4. Multi-target QSAR modeling and comparative multi-distance study of the giant components of antiviral drug-drug complex networks
-
Prado-Prado, F. J.; Martinez de la Vega, O.; Uriarte, E.; Ubeira, F. M.; Chou, K. C.; Gonzalez-Diaz, H. Unified QSAR approach to antimicrobials. 4. Multi-target QSAR modeling and comparative multi-distance study of the giant components of antiviral drug-drug complex networks. Bioorg Med Chem., 2009, 17, 569-575.
-
(2009)
Bioorg Med Chem.
, vol.17
, pp. 569-575
-
-
Prado-Prado, F.J.1
De La Martinez, V.O.2
Uriarte, E.3
Ubeira, F.M.4
Chou, K.C.5
Gonzalez-Diaz, H.6
-
28
-
-
33747816816
-
PROFEAT: A web server for computing structural and physicochemical features of proteins and peptides from amino acid sequence
-
DOI 10.1093/nar/gkl305
-
Li, Z.R.; Lin, H.H.; Han, L.Y.; Jiang, L.; Chen, X., Chen, Y.Z. PROFEAT: a web server for computing structural and physicochemical features of proteins and peptides from amino acid sequence. Nucleic Acids Res., 2006, 34, W32-W37. (Pubitemid 44529730)
-
(2006)
Nucleic Acids Research
, vol.34
, Issue.WEB. SERV. ISS.
-
-
Li, Z.R.1
Lin, H.H.2
Han, L.Y.3
Jiang, L.4
Chen, X.5
Chen, Y.Z.6
-
29
-
-
24344458137
-
Feature selection based on mutual information: Criteria of Max-Dependency, Max-Relevance, and Min-Redundancy
-
DOI 10.1109/TPAMI.2005.159
-
Peng, H.; Long, F.; Ding, C. Feature selection based on mutual information: criteria of max-dependency, max-relevance, and min-redundancy. IEEE Trans Pattern Anal Mach Intell., 2005, 27,1226-1238. (Pubitemid 41245053)
-
(2005)
IEEE Transactions on Pattern Analysis and Machine Intelligence
, vol.27
, Issue.8
, pp. 1226-1238
-
-
Peng, H.1
Long, F.2
Ding, C.3
-
30
-
-
34248585875
-
Prediction model building and feature selection with support vector machines in breast cancer diagnosis
-
Huang, C.L.; Liao, H.C.; Chen, M.C. Prediction model building and feature selection with support vector machines in breast cancer diagnosis. Expert Systems with Applications, 2008, 34, 578-587.
-
(2008)
Expert Systems with Applications
, vol.34
, pp. 578-587
-
-
Huang, C.L.1
Liao, H.C.2
Chen, M.C.3
-
31
-
-
77953609581
-
Application of support-vector-machinebased method for feature selection and classification of thyroid nodules in ultrasound images
-
Chang, C.Y.; Chen, S.J.; Tsai, M.F. Application of support-vector- machinebased method for feature selection and classification of thyroid nodules in ultrasound images. Pattern Recognition, 2010, 43, 3494-3506.
-
(2010)
Pattern Recognition
, vol.43
, pp. 3494-3506
-
-
Chang, C.Y.1
Chen, S.J.2
Tsai, M.F.3
-
32
-
-
84942484786
-
Ridge regression: Biased estimation for noorthogonal problems
-
Hoerl, A.E.; Kennard, R.W. Ridge regression: Biased estimation for noorthogonal problems. Technometrics, 1970, 12, 55-67.
-
(1970)
Technometrics
, vol.12
, pp. 55-67
-
-
Hoerl, A.E.1
Kennard, R.W.2
-
34
-
-
54249155522
-
Network pharmacology: The next paradigm in drug discovery
-
Hopkins, A.L. 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.L.1
|