-
1
-
-
0037370478
-
Bioinformatics in the post-sequence era
-
Kanehisa, M.; Bork, P. Bioinformatics in the post-sequence era Nat. Genet. 2003, 33, 305-310
-
(2003)
Nat. Genet.
, vol.33
, pp. 305-310
-
-
Kanehisa, M.1
Bork, P.2
-
2
-
-
79961007572
-
Trends in the exploitation of novel drug targets
-
Rask-Andersen, M.; Almen, M. S.; Schioth, H. B. Trends in the exploitation of novel drug targets Nat. Rev. Drug Discovery 2011, 10, 579-590
-
(2011)
Nat. Rev. Drug Discovery
, vol.10
, pp. 579-590
-
-
Rask-Andersen, M.1
Almen, M.S.2
Schioth, H.B.3
-
3
-
-
4344668661
-
Drug repositioning: Identifying and developing new uses for existing drugs
-
Ashburn, T. T.; Thor, K. B. 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.T.1
Thor, K.B.2
-
4
-
-
33846518797
-
In silico target fishing: Predicting biological targets from chemical structure
-
Jenkins, J. L.; Bender, A.; Davies, J. W. In silico target fishing: Predicting biological targets from chemical structure Drug Discovery Today 2006, 3, 413-421
-
(2006)
Drug Discovery Today
, vol.3
, pp. 413-421
-
-
Jenkins, J.L.1
Bender, A.2
Davies, J.W.3
-
5
-
-
41149096945
-
Large-scale prediction of drug-target relationships
-
Kuhn, M.; Campillos, M.; Gonzolez, P.; Jensen, L. J.; Bork, P. Large-scale prediction of drug-target relationships FEBS Lett. 2008, 582, 1283-1290
-
(2008)
FEBS Lett.
, vol.582
, pp. 1283-1290
-
-
Kuhn, M.1
Campillos, M.2
Gonzolez, P.3
Jensen, L.J.4
Bork, P.5
-
6
-
-
0037245913
-
BIND: The Biomolecular Interaction Network Database
-
Bader, G. D.; Betel, D.; Hogue, C. W. V. BIND: the Biomolecular Interaction Network Database Nucleic Acids Res. 2003, 31, 248-250
-
(2003)
Nucleic Acids Res.
, vol.31
, pp. 248-250
-
-
Bader, G.D.1
Betel, D.2
Hogue, C.W.V.3
-
7
-
-
0036088133
-
DIP, the Database of Interacting Proteins: A research tool for studying cellular networks of protein interactions
-
Xenarios, I.; Salwanski, L.; Duan, X. J.; Higney, P.; Kim, S.-M.; Eisenberg, D. DIP, the Database of Interacting Proteins: a research tool for studying cellular networks of protein interactions Nucleic Acids Res. 2002, 30, 303-305
-
(2002)
Nucleic Acids Res.
, vol.30
, pp. 303-305
-
-
Xenarios, I.1
Salwanski, L.2
Duan, X.J.3
Higney, P.4
Kim, S.-M.5
Eisenberg, D.6
-
8
-
-
58149193234
-
STRING 8- A global view on proteins and their functional interactions in 630 organisms
-
Jensen, L. J.; Kuhn, M.; Stark, M.; Chaffron, S.; Creevey, C.; Muller, J.; Doerks, T.; Julien, P.; Roth, A.; Simonovic, M.; Bork, P.; von Mering, C. STRING 8- A global view on proteins and their functional interactions in 630 organisms Nucleic Acids Res. 2009, 37 (suppl 1) D412-D416
-
(2009)
Nucleic Acids Res.
, vol.37
, Issue.SUPPL. 1
-
-
Jensen, L.J.1
Kuhn, M.2
Stark, M.3
Chaffron, S.4
Creevey, C.5
Muller, J.6
Doerks, T.7
Julien, P.8
Roth, A.9
Simonovic, M.10
Bork, P.11
Von Mering, C.12
-
9
-
-
58149193222
-
Human Protein Reference Database - 2009 update
-
Keshava Prasad, T. S.; Goel, R.; Kandasamy, K.; Keerthikumar, S.; Kumar, S.; Mathivanan, S.; Telikicherla, D.; Raju, R.; Shafreen, B.; Venugopal, A.; Balakrishnan, L.; Marimuthu, A.; Banerjee, S.; Somanathan, D. S.; Sebastian, A.; Rani, S.; Ray, S.; Harrys Kishore, C. J.; Kanth, S.; Ahmed, M.; Kashyap, M. K.; Mohmood, R.; Ramachandra, Y. L.; Krishna, V.; Rahiman, B. A.; Mohan, S.; Ranganathan, P.; Ramabadran, S.; Chaerkady, R.; Pandey, A. Human Protein Reference Database-2009 update Nucleic Acids Res. 2009, 37 (suppl 1) D767-D772
-
(2009)
Nucleic Acids Res.
, vol.37
, Issue.SUPPL. 1
-
-
Keshava Prasad, T.S.1
Goel, R.2
Kandasamy, K.3
Keerthikumar, S.4
Kumar, S.5
Mathivanan, S.6
Telikicherla, D.7
Raju, R.8
Shafreen, B.9
Venugopal, A.10
Balakrishnan, L.11
Marimuthu, A.12
Banerjee, S.13
Somanathan, D.S.14
Sebastian, A.15
Rani, S.16
Ray, S.17
Harrys Kishore, C.J.18
Kanth, S.19
Ahmed, M.20
Kashyap, M.K.21
Mohmood, R.22
Ramachandra, Y.L.23
Krishna, V.24
Rahiman, B.A.25
Mohan, S.26
Ranganathan, P.27
Ramabadran, S.28
Chaerkady, R.29
Pandey, A.30
more..
-
10
-
-
0036084258
-
TTD: Therapeutic Target Database
-
Chen, X.; Ji, Z. L.; Chen, Y. Z. TTD: Therapeutic Target Database Nucleic Acids Res. 2002, 30, 412-415
-
(2002)
Nucleic Acids Res.
, vol.30
, pp. 412-415
-
-
Chen, X.1
Ji, Z.L.2
Chen, Y.Z.3
-
11
-
-
38549151817
-
DrugBank: A knowledgebase for drugs, drug actions and drug targets
-
Wishart, D. S.; Knox, C.; Guo, A. C.; 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 (suppl 1) D901-D906
-
(2008)
Nucleic Acids Res.
, vol.36
, Issue.SUPPL. 1
-
-
Wishart, D.S.1
Knox, C.2
Guo, A.C.3
Cheng, D.4
Shrivastava, S.5
Tzur, D.6
Gautam, B.7
Hassanali, M.8
-
12
-
-
84862192766
-
ChEMBL: A large-scale bioactivity database for drug discovery
-
Gaulton, A.; Bellis, L. J.; Bento, A. P.; Chambers, J.; Davies, M.; Hersey, A.; Light, Y.; McGlinchey, S.; Michalovich, D.; Al-Lazikani, B.; Overington, J. P. ChEMBL: a large-scale bioactivity database for drug discovery Nucleic Acids Res. 2012, 40, D1100-D1107
-
(2012)
Nucleic Acids Res.
, vol.40
-
-
Gaulton, A.1
Bellis, L.J.2
Bento, A.P.3
Chambers, J.4
Davies, M.5
Hersey, A.6
Light, Y.7
McGlinchey, S.8
Michalovich, D.9
Al-Lazikani, B.10
Overington, J.P.11
-
13
-
-
0032919364
-
KEGG: Kyoto Encyclopedia of Genes and Genomes
-
Ogata, H.; Goto, S.; Sato, K.; Fujibuchi, W.; Bono, H.; Kanehisa, M. KEGG: Kyoto Encyclopedia of Genes and Genomes Nucleic Acids Res. 1999, 27, 29-34
-
(1999)
Nucleic Acids Res.
, vol.27
, pp. 29-34
-
-
Ogata, H.1
Goto, S.2
Sato, K.3
Fujibuchi, W.4
Bono, H.5
Kanehisa, M.6
-
14
-
-
33846108633
-
BindingDB: A web-accessible database of experimentally determined protein-ligand binding affinities
-
Liu, T.; Lin, Y.; Wen, X.; Jorissen, R. N.; Gilson, M. K. BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities Nucleic Acids Res. 2007, 35 (suppl 1) D198-D201
-
(2007)
Nucleic Acids Res.
, vol.35
, Issue.SUPPL. 1
-
-
Liu, T.1
Lin, Y.2
Wen, X.3
Jorissen, R.N.4
Gilson, M.K.5
-
15
-
-
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. G.; Gewiess, A.; Jensen, L. J.; Schneider, R.; Skoblo, R.; Russell, R. B.; Bourne, P. E.; Bork, P.; Preissner, R. SuperTarget and Matador: resources for exploring drug-target relationships Nucleic Acids Res. 2008, 36 (suppl 1) D919-D922
-
(2008)
Nucleic Acids Res.
, vol.36
, Issue.SUPPL. 1
-
-
Gunther, S.1
Kuhn, M.2
Dunkel, M.3
Campillos, M.4
Senger, C.5
Petsalaki, E.6
Ahmed, J.7
Urdiales, E.G.8
Gewiess, A.9
Jensen, L.J.10
Schneider, R.11
Skoblo, R.12
Russell, R.B.13
Bourne, P.E.14
Bork, P.15
Preissner, R.16
-
16
-
-
1842532337
-
Chemogenomics: An emerging strategy for rapid target and drug discovery
-
Bredel, M.; Jacoby, E. Chemogenomics: an emerging strategy for rapid target and drug discovery Nat. Rev. Genet. 2004, 5, 262-275
-
(2004)
Nat. Rev. Genet.
, vol.5
, pp. 262-275
-
-
Bredel, M.1
Jacoby, E.2
-
17
-
-
33748751182
-
Chemogenomics: Structuring the drug discovery process to gene families
-
Harris, C. J.; Stevens, A. P. Chemogenomics: structuring the drug discovery process to gene families Drug Discovery Today 2006, 11, 880-888
-
(2006)
Drug Discovery Today
, vol.11
, pp. 880-888
-
-
Harris, C.J.1
Stevens, A.P.2
-
18
-
-
84862874722
-
Using core hydrophobicity to identify phosphorylation sites of human G protein-coupled receptors
-
Huang, J.-H.; Cao, D.-S.; Yan, J.; Xu, Q.-S.; Hu, Q.-N.; Liang, Y.-Z. Using core hydrophobicity to identify phosphorylation sites of human G protein-coupled receptors Biochimie 2012, 94, 1697-1704
-
(2012)
Biochimie
, vol.94
, pp. 1697-1704
-
-
Huang, J.-H.1
Cao, D.-S.2
Yan, J.3
Xu, Q.-S.4
Hu, Q.-N.5
Liang, Y.-Z.6
-
19
-
-
0018110116
-
Prediction of the Secondary Structure of Proteins from their Amino Acid Sequence
-
John Wiley & Sons, Inc. Hoboken, NJ
-
Chou, P. Y.; Fasman, G. D. Prediction of the Secondary Structure of Proteins from their Amino Acid Sequence. In Advances in Enzymology Related Areas of Molecular Biology; John Wiley & Sons, Inc.: Hoboken, NJ, 2006; pp 45-148.
-
(2006)
Advances in Enzymology Related Areas of Molecular Biology
, pp. 45-148
-
-
Chou, P.Y.1
Fasman, G.D.2
-
20
-
-
34248371273
-
Predicting protein-protein interactions based only on sequences information
-
Shen, J.; Zhang, J.; Luo, X.; Zhu, W.; Yu, K.; Chen, K.; Li, Y.; Jiang, H. Predicting protein-protein interactions based only on sequences information Proc. Natl. Acad. Sci. U.S.A. 2007, 104, 4337-4341
-
(2007)
Proc. Natl. Acad. Sci. U.S.A.
, vol.104
, pp. 4337-4341
-
-
Shen, J.1
Zhang, J.2
Luo, X.3
Zhu, W.4
Yu, K.5
Chen, K.6
Li, Y.7
Jiang, H.8
-
21
-
-
39449105071
-
Cell-PLoc: A package of Web servers for predicting subcellular localization of proteins in various organisms
-
Chou, K.-C.; Shen, H.-B. Cell-PLoc: a package of Web servers for predicting subcellular localization of proteins in various organisms Nat. Protocols 2008, 3, 153-162
-
(2008)
Nat. Protocols
, vol.3
, pp. 153-162
-
-
Chou, K.-C.1
Shen, H.-B.2
-
22
-
-
84867908823
-
Large-scale prediction of drug-target interactions using protein sequences and drug topological structures
-
Cao, D.-S.; Liu, S.; Xu, Q.-S.; Lu, H.-M.; Huang, J.-H.; Hu, Q.-N.; Liang, Y.-Z. Large-scale prediction of drug-target interactions using protein sequences and drug topological structures Anal. Chim. Acta 2012, 752, 1-10
-
(2012)
Anal. Chim. Acta
, vol.752
, pp. 1-10
-
-
Cao, D.-S.1
Liu, S.2
Xu, Q.-S.3
Lu, H.-M.4
Huang, J.-H.5
Hu, Q.-N.6
Liang, Y.-Z.7
-
23
-
-
84861610134
-
A Systematic Prediction of Multiple Drug-Target Interactions from Chemical, Genomic, and Pharmacological Data
-
Yu, H.; Chen, J.; Xu, X.; Li, Y.; Zhao, H.; Fang, Y.; Li, X.; Zhou, W.; Wang, W.; Wang, Y. A Systematic Prediction of Multiple Drug-Target Interactions from Chemical, Genomic, and Pharmacological Data PLoS ONE 2012, 7, e37608
-
(2012)
PLoS ONE
, vol.7
, pp. 37608
-
-
Yu, H.1
Chen, J.2
Xu, X.3
Li, Y.4
Zhao, H.5
Fang, Y.6
Li, X.7
Zhou, W.8
Wang, W.9
Wang, Y.10
-
24
-
-
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
, pp. 9603
-
-
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
-
25
-
-
51749088608
-
BioJava: An Open-Source Framework for Bioinforamtics
-
Holland, R. C. G.; Down, T. A.; Pocock, M.; Prilić, A.; Huen, D.; James, K.; Foisy, S.; Dräger, A.; Yates, A.; Heuer, M.; Schreiber, M. J. BioJava: an Open-Source Framework for Bioinforamtics Bioinformatics 2008, 24, 2096-2097
-
(2008)
Bioinformatics
, vol.24
, pp. 2096-2097
-
-
Holland, R.C.G.1
Down, T.A.2
Pocock, M.3
Prilić, A.4
Huen, D.5
James, K.6
Foisy, S.7
Dräger, A.8
Yates, A.9
Heuer, M.10
Schreiber, M.J.11
-
26
-
-
37549004451
-
PseAAC: A flexible web server for generating various kinds of protein pseudo amino acid composition
-
Shen, H.-B.; Chou, K.-C. PseAAC: A flexible web server for generating various kinds of protein pseudo amino acid composition Anal. Biochem. 2008, 373, 386-388
-
(2008)
Anal. Biochem.
, vol.373
, pp. 386-388
-
-
Shen, H.-B.1
Chou, K.-C.2
-
27
-
-
33747816816
-
PROFEAT: A web server for computing structural and physicochemical features of proteins and peptides from amino acid sequence
-
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 (Web Server issue) W32-37
-
(2006)
Nucleic Acids Res.
, vol.34
, Issue.WEB SERVER ISSUE
, pp. 32-37
-
-
Li, Z.R.1
Lin, H.H.2
Han, L.Y.3
Jiang, L.4
Chen, X.5
Chen, Y.Z.6
-
28
-
-
0032619434
-
Binary Quantitative Structure activity Relationship (QSAR) Analysis of Estrogen Receptor Ligands
-
Williams, C.; Labute, P.; Bajorath, J. Binary Quantitative Structure activity Relationship (QSAR) Analysis of Estrogen Receptor Ligands J. Chem. Inf. Comput. Sci. 1999, 39, 164-168
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.39
, pp. 164-168
-
-
Williams, C.1
Labute, P.2
Bajorath, J.3
-
29
-
-
33751246188
-
Similarity-based virtual screening using 2D fingerprints
-
Willett, P. Similarity-based virtual screening using 2D fingerprints Drug Discovery Today 2006, 11, 1046-1053
-
(2006)
Drug Discovery Today
, vol.11
, pp. 1046-1053
-
-
Willett, P.1
-
30
-
-
0034597582
-
2D QSAR Modeling and Preliminary Database Searching for Dopamine Transporter Inhibitors Using Genetic Algorithm Variable Selection of Molconn Z Descriptors
-
Hoffman, B. T.; Kopajtic, T.; Katz, J. L.; Newman, A. H. 2D QSAR Modeling and Preliminary Database Searching for Dopamine Transporter Inhibitors Using Genetic Algorithm Variable Selection of Molconn Z Descriptors J. Med. Chem. 2000, 43, 4151-4159
-
(2000)
J. Med. Chem.
, vol.43
, pp. 4151-4159
-
-
Hoffman, B.T.1
Kopajtic, T.2
Katz, J.L.3
Newman, A.H.4
-
31
-
-
0037364162
-
ADMET in silico modelling: Towards prediction paradise?
-
van de Waterbeemd, H.; Gifford, E. ADMET in silico modelling: towards prediction paradise? Nat. Rev. Drug Discov. 2003, 2, 192-204
-
(2003)
Nat. Rev. Drug Discov.
, vol.2
, pp. 192-204
-
-
Van De Waterbeemd, H.1
Gifford, E.2
-
32
-
-
0037361967
-
The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo- and Bioinformatics
-
Steinbeck, C.; Han, Y.; Kuhn, S.; Horlacher, O.; Luttmann, E.; Willighagen, E. The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo- and Bioinformatics J. Chem. Inf. Comput. Sci. 2003, 43, 493-500
-
(2003)
J. Chem. Inf. Comput. Sci.
, vol.43
, pp. 493-500
-
-
Steinbeck, C.1
Han, Y.2
Kuhn, S.3
Horlacher, O.4
Luttmann, E.5
Willighagen, E.6
-
33
-
-
80053512597
-
Open Babel: An open chemical toolbox
-
O'Boyle, N.; Banck, M.; James, C.; Morley, C.; Vandermeersch, T.; Hutchison, G. Open Babel: An open chemical toolbox J. Cheminf. 2011, 3, 1-14
-
(2011)
J. Cheminf.
, vol.3
, pp. 1-14
-
-
O'Boyle, N.1
Banck, M.2
James, C.3
Morley, C.4
Vandermeersch, T.5
Hutchison, G.6
-
34
-
-
61349158018
-
Cinfony - Combining Open Source cheminformatics toolkits behind a common interface
-
O'Boyle, N.; Hutchison, G. Cinfony-combining Open Source cheminformatics toolkits behind a common interface Chem. Cent. J. 2008, 2, 24
-
(2008)
Chem. Cent. J.
, vol.2
, pp. 24
-
-
O'Boyle, N.1
Hutchison, G.2
-
35
-
-
4043121114
-
Computational chemogenomics approaches to systematic knowledge-based drug discovery
-
Mestres, J. Computational chemogenomics approaches to systematic knowledge-based drug discovery Curr. Opin. Drug Discovery 2004, 7, 304-313
-
(2004)
Curr. Opin. Drug Discovery
, vol.7
, pp. 304-313
-
-
Mestres, J.1
-
37
-
-
0027997161
-
The DEF data base of sequence based protein fold class predictions
-
Reczko, M.; Bohr, H. The DEF data base of sequence based protein fold class predictions Nucleic Acids Res. 1994, 22, 3616-3619
-
(1994)
Nucleic Acids Res.
, vol.22
, pp. 3616-3619
-
-
Reczko, M.1
Bohr, H.2
-
38
-
-
2542458612
-
Classification of Nuclear Receptors Based on Amino Acid Composition and Dipeptide Composition
-
Bhasin, M.; Raghava, G. P. S. Classification of Nuclear Receptors Based on Amino Acid Composition and Dipeptide Composition J. Biol. Chem. 2004, 279, 23262-23266
-
(2004)
J. Biol. Chem.
, vol.279
, pp. 23262-23266
-
-
Bhasin, M.1
Raghava, G.P.S.2
-
39
-
-
0037195776
-
Using Functional Domain Composition and Support Vector Machines for Prediction of Protein Subcellular Location
-
Chou, K.-C.; Cai, Y.-D. Using Functional Domain Composition and Support Vector Machines for Prediction of Protein Subcellular Location J. Biol. Chem. 2002, 277, 45765-45769
-
(2002)
J. Biol. Chem.
, vol.277
, pp. 45765-45769
-
-
Chou, K.-C.1
Cai, Y.-D.2
-
40
-
-
0033781978
-
Prediction of Membrane Protein Types Based on the Hydrophobic Index of Amino Acids
-
Feng, Z. P.; Zhang, C. T. Prediction of Membrane Protein Types Based on the Hydrophobic Index of Amino Acids J. Protein Chem. 2000, 19, 269-275
-
(2000)
J. Protein Chem.
, vol.19
, pp. 269-275
-
-
Feng, Z.P.1
Zhang, C.T.2
-
41
-
-
0023972269
-
Prediction of protein helix content from an autocorrelation analysis of sequence hydrophobicities
-
Horne, D. S. Prediction of protein helix content from an autocorrelation analysis of sequence hydrophobicities Biopolymers 1988, 27, 451-477
-
(1988)
Biopolymers
, vol.27
, pp. 451-477
-
-
Horne, D.S.1
-
42
-
-
0034874330
-
Accurate Prediction of Protein Secondary Structural Content
-
Lin, Z.; Pan, X. M. Accurate Prediction of Protein Secondary Structural Content J. Protein Chem. 2001, 20, 217-220
-
(2001)
J. Protein Chem.
, vol.20
, pp. 217-220
-
-
Lin, Z.1
Pan, X.M.2
-
43
-
-
0029047319
-
Prediction of protein folding class using global description of amino acid sequence
-
Dubchak, I.; Muchnik, I.; Holbrook, S. R.; Kim, S. H. Prediction of protein folding class using global description of amino acid sequence Proc. Natl. Acad. Sci. U.S.A. 1995, 92, 8700-8704
-
(1995)
Proc. Natl. Acad. Sci. U.S.A.
, vol.92
, pp. 8700-8704
-
-
Dubchak, I.1
Muchnik, I.2
Holbrook, S.R.3
Kim, S.H.4
-
44
-
-
0035023445
-
Predicting protein-protein interactions from primary structure
-
Bock, J. R.; Gough, D. A. Predicting protein-protein interactions from primary structure Bioinformatics 2001, 17, 455-460
-
(2001)
Bioinformatics
, vol.17
, pp. 455-460
-
-
Bock, J.R.1
Gough, D.A.2
-
45
-
-
0042622243
-
SVM-Prot: Web-based support vector machine software for functional classification of a protein from its primary sequence
-
Cai, C. Z.; Han, L. Y.; Ji, Z. L.; Chen, X.; Chen, Y. Z. SVM-Prot: web-based support vector machine software for functional classification of a protein from its primary sequence Nucleic Acids Res. 2003, 31, 3692-3697
-
(2003)
Nucleic Acids Res.
, vol.31
, pp. 3692-3697
-
-
Cai, C.Z.1
Han, L.Y.2
Ji, Z.L.3
Chen, X.4
Chen, Y.Z.5
-
46
-
-
0034687538
-
Prediction of Protein Subcellular Locations by Incorporating Quasi-Sequence-Order Effect
-
Chou, K.-C. Prediction of Protein Subcellular Locations by Incorporating Quasi-Sequence-Order Effect Biochem. Bioph. Res. Co. 2000, 278, 477-483
-
(2000)
Biochem. Bioph. Res. Co.
, vol.278
, pp. 477-483
-
-
Chou, K.-C.1
-
47
-
-
3142779931
-
Prediction of protein subcellular locations by GO-FunD-PseAA predictor
-
Chou, K.-C.; Cai, Y.-D. Prediction of protein subcellular locations by GO-FunD-PseAA predictor Biochem. Bioph. Res. Co. 2004, 320, 1236-1239
-
(2004)
Biochem. Bioph. Res. Co.
, vol.320
, pp. 1236-1239
-
-
Chou, K.-C.1
Cai, Y.-D.2
-
48
-
-
0035874091
-
Prediction of protein cellular attributes using pseudo-amino acid composition
-
Chou, K.-C. Prediction of protein cellular attributes using pseudo-amino acid composition Proteins 2001, 43, 246-255
-
(2001)
Proteins
, vol.43
, pp. 246-255
-
-
Chou, K.-C.1
-
49
-
-
12744279642
-
Using amphiphilic pseudo amino acid composition to predict enzyme subfamily classes
-
Chou, K.-C. Using amphiphilic pseudo amino acid composition to predict enzyme subfamily classes Bioinformatics 2005, 21, 10-19
-
(2005)
Bioinformatics
, vol.21
, pp. 10-19
-
-
Chou, K.-C.1
-
50
-
-
79551534528
-
Prediction of aqueous solubility of druglike organic compounds using partial least squares, back-propagation network and support vector machine
-
Cao, D.-S.; Xu, Q.-S.; Liang, Y.-Z.; Chen, X.; Li, H.-D. Prediction of aqueous solubility of druglike organic compounds using partial least squares, back-propagation network and support vector machine J. Chemom. 2010, 24, 584-595
-
(2010)
J. Chemom.
, vol.24
, pp. 584-595
-
-
Cao, D.-S.1
Xu, Q.-S.2
Liang, Y.-Z.3
Chen, X.4
Li, H.-D.5
-
51
-
-
2942704236
-
Study of the Quantitative Structure-Mobility Relationship of Carboxylic Acids in Capillary Electrophoresis Based on Support Vector Machines
-
Xue, C. X.; Zhang, R. S.; Liu, M. C.; Hu, Z. D.; Fan, B. T. Study of the Quantitative Structure-Mobility Relationship of Carboxylic Acids in Capillary Electrophoresis Based on Support Vector Machines J. Chem. Inf. Comput. Sci. 2004, 44, 950-957
-
(2004)
J. Chem. Inf. Comput. Sci.
, vol.44
, pp. 950-957
-
-
Xue, C.X.1
Zhang, R.S.2
Liu, M.C.3
Hu, Z.D.4
Fan, B.T.5
-
52
-
-
33846855555
-
ADME Evaluation in Drug Discovery. 7. Prediction of Oral Absorption by Correlation and Classification
-
Hou, T.; Wang, J.; Zhang, W.; Xu, X. ADME Evaluation in Drug Discovery. 7. Prediction of Oral Absorption by Correlation and Classification J. Chem Inf. Model. 2007, 47, 208-218
-
(2007)
J. Chem Inf. Model.
, vol.47
, pp. 208-218
-
-
Hou, T.1
Wang, J.2
Zhang, W.3
Xu, X.4
-
53
-
-
13844319727
-
Pharmacophore Identification, in Silico Screening, and Virtual Library Design for Inhibitors of the Human Factor Xa
-
Krovat, E. M.; Fruhwirth, K. H.; Langer, T. Pharmacophore Identification, in Silico Screening, and Virtual Library Design for Inhibitors of the Human Factor Xa J. Chem Inf. Model. 2005, 45, 146-159
-
(2005)
J. Chem Inf. Model.
, vol.45
, pp. 146-159
-
-
Krovat, E.M.1
Fruhwirth, K.H.2
Langer, T.3
-
54
-
-
34250658541
-
In silico ADME modeling 3: Computational models to predict human intestinal absorption using sphere exclusion and kNN QSAR methods
-
Gunturi, S. B.; Narayanan, R. In silico ADME modeling 3: Computational models to predict human intestinal absorption using sphere exclusion and kNN QSAR methods QSAR Comb. Sci. 2007, 26, 653-668
-
(2007)
QSAR Comb. Sci.
, vol.26
, pp. 653-668
-
-
Gunturi, S.B.1
Narayanan, R.2
-
55
-
-
79954628072
-
In silico classification of human maximum recommended daily dose based on modified random forest and substructure fingerprint
-
Cao, D.-S.; Hu, Q.-N.; Xu, Q.-S.; Yang, Y.-N.; Zhao, J.-C.; Lu, H.-M.; Zhang, L.-X.; Liang, Y.-Z. In silico classification of human maximum recommended daily dose based on modified random forest and substructure fingerprint Anal. Chim. Acta 2011, 692, 50-56
-
(2011)
Anal. Chim. Acta
, vol.692
, pp. 50-56
-
-
Cao, D.-S.1
Hu, Q.-N.2
Xu, Q.-S.3
Yang, Y.-N.4
Zhao, J.-C.5
Lu, H.-M.6
Zhang, L.-X.7
Liang, Y.-Z.8
-
56
-
-
77954068708
-
Estimation of ADME Properties with Substructure Pattern Recognition
-
Shen, J.; Cheng, F.; Xu, Y.; Li, W.; Tang, Y. Estimation of ADME Properties with Substructure Pattern Recognition J. Chem. Inf. Model. 2010, 50, 1034-1041
-
(2010)
J. Chem. Inf. Model.
, vol.50
, pp. 1034-1041
-
-
Shen, J.1
Cheng, F.2
Xu, Y.3
Li, W.4
Tang, Y.5
-
57
-
-
84863022952
-
Computer-aided prediction of toxicity with substructure pattern and random forest
-
Cao, D.-S.; Yang, Y.-N.; Zhao, J.-C.; Yan, J.; Liu, S.; Hu, Q.-N.; Xu, Q.-S.; Liang, Y.-Z. Computer-aided prediction of toxicity with substructure pattern and random forest J. Chemom. 2012, 26, 7-15
-
(2012)
J. Chemom.
, vol.26
, pp. 7-15
-
-
Cao, D.-S.1
Yang, Y.-N.2
Zhao, J.-C.3
Yan, J.4
Liu, S.5
Hu, Q.-N.6
Xu, Q.-S.7
Liang, Y.-Z.8
-
58
-
-
33845379303
-
Atom pairs as molecular features in structure-activity studies: Definition and applications
-
Carhart, R. E.; Smith, D. H.; Venkataraghavan, R. Atom pairs as molecular features in structure-activity studies: definition and applications J. Chem. Inf. Comput. Sci. 1985, 25, 64-73
-
(1985)
J. Chem. Inf. Comput. Sci.
, vol.25
, pp. 64-73
-
-
Carhart, R.E.1
Smith, D.H.2
Venkataraghavan, R.3
-
59
-
-
0003076470
-
Topological torsion: A new molecular descriptor for SAR applications. Comparison with other descriptors
-
Nilakantan, R.; Bauman, N.; Dixon, J. S.; Venkataraghavan, R. Topological torsion: a new molecular descriptor for SAR applications. Comparison with other descriptors J. Chem. Inf. Comput. Sci. 1987, 27, 82-85
-
(1987)
J. Chem. Inf. Comput. Sci.
, vol.27
, pp. 82-85
-
-
Nilakantan, R.1
Bauman, N.2
Dixon, J.S.3
Venkataraghavan, R.4
-
60
-
-
77952772341
-
Extended-Connectivity Fingerprints
-
Rogers, D.; Hahn, M. Extended-Connectivity Fingerprints J. Chem. Inf. Model. 2010, 50, 742-754
-
(2010)
J. Chem. Inf. Model.
, vol.50
, pp. 742-754
-
-
Rogers, D.1
Hahn, M.2
-
61
-
-
46249090791
-
Prediction of drug-target interaction networks from the integration of chemical and genomic spaces
-
Yamanishi, Y.; Araki, M.; Gutteridge, A.; Honda, W.; Kanehisa, M. Prediction of drug-target interaction networks from the integration of chemical and genomic spaces Bioinformatics 2008, 24, i232-i240
-
(2008)
Bioinformatics
, vol.24
-
-
Yamanishi, Y.1
Araki, M.2
Gutteridge, A.3
Honda, W.4
Kanehisa, M.5
-
62
-
-
0035478854
-
Random forests
-
Breiman, L. Random forests Machine Learn. 2001, 45, 5-32
-
(2001)
Machine Learn.
, vol.45
, pp. 5-32
-
-
Breiman, L.1
-
63
-
-
0345548657
-
Random Forest: A Classification and Regression Tool for Compound Classification and QSAR Modeling
-
Svetnik, V.; Liaw, A.; Tong, C.; Culberson, J. C.; Sheridan, R. P.; Feuston, B. P. Random Forest: A Classification and Regression Tool for Compound Classification and QSAR Modeling J. Chem. Inf. Comput. Sci. 2003, 43, 1947-1958
-
(2003)
J. Chem. Inf. Comput. Sci.
, vol.43
, pp. 1947-1958
-
-
Svetnik, V.1
Liaw, A.2
Tong, C.3
Culberson, J.C.4
Sheridan, R.P.5
Feuston, B.P.6
-
64
-
-
85162008707
-
Supervised bipartite graph inference
-
Vancouver, British Columbia, Canada, December 8-11.
-
Yamanishi, Y. Supervised bipartite graph inference. Proceedings of the Conference on Advances in Neural Information and Processing System, Vancouver, British Columbia, Canada, December 8-11, 2008.
-
(2008)
Proceedings of the Conference on Advances in Neural Information and Processing System
-
-
Yamanishi, Y.1
-
65
-
-
77954230951
-
Drug-target interaction prediction from chemical, genomic and pharmacological data in an integrated framework
-
Yamanishi, Y.; Kotera, M.; Kanehisa, M.; Goto, S. Drug-target interaction prediction from chemical, genomic and pharmacological data in an integrated framework Bioinformatics 2010, 26, i246-i254
-
(2010)
Bioinformatics
, vol.26
-
-
Yamanishi, Y.1
Kotera, M.2
Kanehisa, M.3
Goto, S.4
-
66
-
-
0038170311
-
Similarity Metrics for Ligands Reflecting the Similarity of the Target Proteins
-
Schuffenhauer, A.; Floersheim, P.; Acklin, P.; Jacoby, E. Similarity Metrics for Ligands Reflecting the Similarity of the Target Proteins J. Chem. Inf. Comput. Sci. 2003, 43, 391-405
-
(2003)
J. Chem. Inf. Comput. Sci.
, vol.43
, pp. 391-405
-
-
Schuffenhauer, A.1
Floersheim, P.2
Acklin, P.3
Jacoby, E.4
-
67
-
-
47249146126
-
Drug target identification using side-effect similarity
-
Campillos, M.; Kuhn, M.; Gavin, A. C.; Jensen, L. J.; 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.C.3
Jensen, L.J.4
Bork, P.5
-
68
-
-
33846876695
-
Relating protein pharmacology by ligand chemistry
-
Keiser, M. J.; Roth, B. L.; Armbruster, B. N.; Ernsberger, P.; Irwin, J. J.; Shoichet, B. K. Relating protein pharmacology by ligand chemistry Nat. Biotechnol. 2007, 25, 197-206
-
(2007)
Nat. Biotechnol.
, vol.25
, pp. 197-206
-
-
Keiser, M.J.1
Roth, B.L.2
Armbruster, B.N.3
Ernsberger, P.4
Irwin, J.J.5
Shoichet, B.K.6
-
69
-
-
70449634957
-
Predicting new molecular targets for known drugs
-
Keiser, M. J.; Setola, V.; Irwin, J. J.; Laggner, C.; Abbas, A. I.; Hufeisen, S. J.; Jensen, N. H.; Kuijer, M. B.; Matos, R. C.; Tran, T. B.; Whaley, R.; Glennon, R. A.; Hert, J.; Thomas, K. L. H.; Edwards, D. D.; Shoichet, B. K.; Roth, B. L. Predicting new molecular targets for known drugs Nature 2009, 462, 175-181
-
(2009)
Nature
, vol.462
, pp. 175-181
-
-
Keiser, M.J.1
Setola, V.2
Irwin, J.J.3
Laggner, C.4
Abbas, A.I.5
Hufeisen, S.J.6
Jensen, N.H.7
Kuijer, M.B.8
Matos, R.C.9
Tran, T.B.10
Whaley, R.11
Glennon, R.A.12
Hert, J.13
Thomas, K.L.H.14
Edwards, D.D.15
Shoichet, B.K.16
Roth, B.L.17
-
70
-
-
84862510972
-
Large-scale prediction and testing of drug activity on side-effect targets
-
Lounkine, E.; Keiser, M. J.; Whitebread, S.; Mikhailov, D.; Hamon, J.; Jenkins, J. L.; Lavan, P.; Weber, E.; Doak, A. K.; Cote, S.; Shoichet, B. K.; Urban, L. Large-scale prediction and testing of drug activity on side-effect targets Nature 2012, 486, 361-367
-
(2012)
Nature
, vol.486
, pp. 361-367
-
-
Lounkine, E.1
Keiser, M.J.2
Whitebread, S.3
Mikhailov, D.4
Hamon, J.5
Jenkins, J.L.6
Lavan, P.7
Weber, E.8
Doak, A.K.9
Cote, S.10
Shoichet, B.K.11
Urban, L.12
-
71
-
-
84954206661
-
Proteochemometrics: A tool for modelling the molecular interaction space
-
first ed. Kubinyi, H. Müller, G. Wiley-VCH Verlag GmbH & Co. KGaA: New York
-
Wikberg, J.; Lapinsh, M.; Prusis, P. Proteochemometrics: A tool for modelling the molecular interaction space. In Chemogenomics in Drug Discovery-A Medicinal Chemistry Perspective, first ed.; Kubinyi, H.; Müller, G.; Wiley-VCH Verlag GmbH & Co. KGaA: New York, 2004; pp 289-309.
-
(2004)
Chemogenomics in Drug Discovery - A Medicinal Chemistry Perspective
, pp. 289-309
-
-
Wikberg, J.1
Lapinsh, M.2
Prusis, P.3
-
72
-
-
0036264678
-
Proteochemometrics Modeling of the Interaction of Amine G-Protein Coupled Receptors with a Diverse Set of Ligands
-
Lapinsh, M.; Prusis, P.; Lundstedt, T.; Wikberg, J. E. S. Proteochemometrics Modeling of the Interaction of Amine G-Protein Coupled Receptors with a Diverse Set of Ligands Mol. Pharmacol. 2002, 61, 1465-1475
-
(2002)
Mol. Pharmacol.
, vol.61
, pp. 1465-1475
-
-
Lapinsh, M.1
Prusis, P.2
Lundstedt, T.3
Wikberg, J.E.S.4
-
73
-
-
81755176078
-
Which Compound to Select in Lead Optimization? Prospectively Validated Proteochemometric Models Guide Preclinical Development
-
van Westen, G. J. P.; Wegner, J. K.; Geluykens, P.; Kwanten, L.; Vereycken, I.; Peeters, A.; Ijzerman, A. P.; van Vlijmen, H. W. T.; Bender, A. Which Compound to Select in Lead Optimization? Prospectively Validated Proteochemometric Models Guide Preclinical Development PLoS ONE 2011, 6, e27518
-
(2011)
PLoS ONE
, vol.6
, pp. 27518
-
-
Van Westen, G.J.P.1
Wegner, J.K.2
Geluykens, P.3
Kwanten, L.4
Vereycken, I.5
Peeters, A.6
Ijzerman, A.P.7
Van Vlijmen, H.W.T.8
Bender, A.9
-
74
-
-
28444472402
-
Improved approach for proteochemometrics modeling: Application to organic compound-amine G protein-coupled receptor interactions
-
Lapinsh, M.; Prusis, P.; Uhlun, S.; Wikberg, J. E. S. Improved approach for proteochemometrics modeling: application to organic compound-amine G protein-coupled receptor interactions Bioinformatics 2005, 21, 4289-4296
-
(2005)
Bioinformatics
, vol.21
, pp. 4289-4296
-
-
Lapinsh, M.1
Prusis, P.2
Uhlun, S.3
Wikberg, J.E.S.4
-
75
-
-
42949131067
-
Proteochemometric modeling of HIV protease susceptibility
-
Lapins, M.; Eklund, M.; Spjuth, O.; Prusis, P.; Wikberg, J. Proteochemometric modeling of HIV protease susceptibility BMC Bioinformatics 2008, 9, 181
-
(2008)
BMC Bioinformatics
, vol.9
, pp. 181
-
-
Lapins, M.1
Eklund, M.2
Spjuth, O.3
Prusis, P.4
Wikberg, J.5
-
76
-
-
0038115355
-
QSAR and proteochemometric analysis of the interaction of a series of organic compounds with melanocortin receptor subtypes
-
Lapinsh, M.; Prusis, P.; Mutule, I.; Mutulis, I.; Wikberg, J. QSAR and proteochemometric analysis of the interaction of a series of organic compounds with melanocortin receptor subtypes J. Med. Chem. 2003, 46, 2572-2579
-
(2003)
J. Med. Chem.
, vol.46
, pp. 2572-2579
-
-
Lapinsh, M.1
Prusis, P.2
Mutule, I.3
Mutulis, I.4
Wikberg, J.5
-
77
-
-
0020371598
-
The structural dependence of amino acid hydrophobicity parameters
-
Charton, M.; Charton, B. I. The structural dependence of amino acid hydrophobicity parameters J. Theor. Biol. 1982, 99, 629-644
-
(1982)
J. Theor. Biol.
, vol.99
, pp. 629-644
-
-
Charton, M.1
Charton, B.I.2
-
78
-
-
0014117822
-
On the average hydrophobicity of proteins and the relation between it and protein structure
-
Bigelow, C. C. On the average hydrophobicity of proteins and the relation between it and protein structure J. Theor. Biol. 1967, 16, 187-211
-
(1967)
J. Theor. Biol.
, vol.16
, pp. 187-211
-
-
Bigelow, C.C.1
-
79
-
-
84888583628
-
-
(accessed Apr 12, 2012).
-
http://www.stat.berkeley.edu/~breiman/RandomForests/ (accessed Apr 12, 2012).
-
-
-
-
80
-
-
0345548657
-
Random Forest: A Classification and Regression Tool for Compound Classification and QSAR Modeling
-
Svetnik, V.; Liaw, A.; Tong, C.; Culberson, J. C.; Sheridan, R. P.; Feuston, B. P. Random Forest: A Classification and Regression Tool for Compound Classification and QSAR Modeling J. Chem. Inf. Comput. Sci. 2003, 43 (6) 1947-1958
-
(2003)
J. Chem. Inf. Comput. Sci.
, vol.43
, Issue.6
, pp. 1947-1958
-
-
Svetnik, V.1
Liaw, A.2
Tong, C.3
Culberson, J.C.4
Sheridan, R.P.5
Feuston, B.P.6
|