-
1
-
-
8444225024
-
NIH Molecular Libraries Initiative
-
Austin CP, Brady LS, Insel TR, Collins FS. NIH Molecular Libraries Initiative. Science 306(5699), 1138-1139 (2004).
-
(2004)
Science
, vol.306
, Issue.5699
, pp. 1138-1139
-
-
Austin, C.P.1
Brady, L.S.2
Insel, T.R.3
Collins, F.S.4
-
2
-
-
75549087817
-
An overview of the PubChem BioAssay resource
-
Wang Y, Bolton E, Dracheva S et al. An overview of the PubChem BioAssay resource. Nucleic Acids Res. 38(Database issue), D255-266 (2010).
-
(2010)
Nucleic Acids Res
, vol.38
-
-
Wang, Y.1
Bolton, E.2
Dracheva, S.3
-
3
-
-
38549121773
-
ChemBank: A small-molecule screening and cheminformatics resource database
-
Seiler KP, George GA, Happ MP et al. ChemBank: a small-molecule screening and cheminformatics resource database. Nucleic Acids Res. 36(Database issue), D351-D359 (2008).
-
(2008)
Nucleic Acids Res
, vol.36
-
-
Kp, S.1
George, G.A.2
Happ, M.P.3
-
4
-
-
33846108633
-
Binding DB: A web-accessible database of experimentally determined protein-ligand binding affinities
-
Liu T, Lin Y, Wen X, Jorrisen RN, Gilson MK. BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities. Nucleic Acids Res. 35(Database issue), D198-201 (2007).
-
(2007)
Nucleic Acids Res
, vol.35
-
-
Liu, T.1
Lin, Y.2
Wen, X.3
Jorrisen, R.N.4
Gilson, M.K.5
-
5
-
-
58149183694
-
IUPHAR-DB: The IUPHAR database of G protein-coupled receptors and ion channels
-
Harmar AJ, Hills RA, Rosser EM et al. IUPHAR-DB: the IUPHAR database of G protein-coupled receptors and ion channels. Nucleic Acids Res. 37(Database issue), D680-685 (2009).
-
(2009)
Nucleic Acids Res
, vol.37
-
-
Harmar, A.J.1
Hills, R.A.2
Rosser, E.M.3
-
6
-
-
34447508068
-
Reporting data from high-throughput screening of small-molecule libraries
-
Inglese J, Shamu C, Gu R. Reporting data from high-throughput screening of small-molecule libraries. Nat. Chem. Biol. 3(8), 438-441 (2007).
-
(2007)
Nat. Chem. Biol.
, vol.3
, Issue.8
, pp. 438-441
-
-
Inglese, J.1
Shamu, C.2
Gu, R.3
-
7
-
-
77951675220
-
In vitro screening of environmental chemicals for targeted testing prioritization: The ToxCast project
-
Judson RS, Houck KA, Kavlock RJ et al. In vitro screening of environmental chemicals for targeted testing prioritization: the ToxCast project. Environ. Health Perspect. 118(4), 485-492 (2010).
-
(2010)
Environ. Health Perspect.
, vol.118
, Issue.4
, pp. 485-492
-
-
Judson, R.S.1
Houck, K.A.2
Kavlock, R.J.3
-
8
-
-
39349118236
-
Toxicology. Transforming environmental health protection
-
Collins FS, Gray GM, Bucher JR. Toxicology. Transforming environmental health protection. Science 319(5865), 906-907.
-
Science
, vol.319
, Issue.5865
, pp. 906-907
-
-
Collins, F.S.1
Gray, G.M.2
Bucher, J.R.3
-
9
-
-
34548289911
-
Free resources to assist structure-based virtual ligand screening experiments
-
Villoutreix BO, Renault N, Lagorce D, Sperandio O, Montes M, Miteva MA. Free resources to assist structure-based virtual ligand screening experiments. Curr. Protein Pept. Sci. 8(4), 381-411 (2007).
-
(2007)
Curr. Protein Pept. Sci.
, vol.8
, Issue.4
, pp. 381-411
-
-
Villoutreix, B.O.1
Renault, N.2
Lagorce, D.3
Sperandio, O.4
Montes, M.5
Ma, M.6
-
10
-
-
13844312649
-
ZINC - A free database of commercially available compounds for virtual screening
-
Irwin JJ, Shoichet BK. ZINC - a free database of commercially available compounds for virtual screening. J. Chem. Inf. Model. 45(1), 177-182 (2005).
-
(2005)
J. Chem. Inf. Model.
, vol.45
, Issue.1
, pp. 177-182
-
-
Irwin, J.J.1
Shoichet, B.K.2
-
11
-
-
67649619336
-
970 million druglike small molecules for virtual screening in the chemical universe database GDB-13
-
Blum LC, Reymond JL. 970 million druglike small molecules for virtual screening in the chemical universe database GDB-13. J. Am. Chem. Soc. 131(25), 8732-8733 (2009).
-
(2009)
J. Am. Chem. Soc.
, vol.131
, Issue.25
, pp. 8732-8733
-
-
Blum, L.C.1
Reymond, J.L.2
-
12
-
-
38549151817
-
DrugBank: A knowledgebase for drugs, drug actions and drug targets
-
Wishart DS, Knox C, Guo AC et al. DrugBank: a knowledgebase for drugs, drug actions and drug targets. Nucleic Acids Res. 36(Database issue), D901-D906 (2008).
-
(2008)
Nucleic Acids Res
, vol.36
-
-
Wishart, D.S.1
Knox, C.2
Guo, A.C.3
-
13
-
-
12244257228
-
DSSTox website launch: Improving public access to databases for building structure-toxicity prediction models
-
Richard AM. DSSTox website launch: improving public access to databases for building structure-toxicity prediction models. Preclinica 2, 103-108 (2004).
-
(2004)
Preclinica
, vol.2
, pp. 103-108
-
-
Richard, A.M.1
-
14
-
-
0037192325
-
Distributed structure-searchable toxicity (DSSTox) public database network: A proposal
-
Richard AM, Williams CR. Distributed structure-searchable toxicity (DSSTox) public database network: a proposal. Mutat. Res. 499(1), 27-52 (2002).
-
(2002)
Mutat. Res.
, vol.499
, Issue.1
, pp. 27-52
-
-
Richard, A.M.1
Williams, C.R.2
-
15
-
-
35748956893
-
Environmental health and toxicology resources of the United States National Library of Medicine
-
Hochstein C, Arnesen S, Goshorn J. Environmental health and toxicology resources of the United States National Library of Medicine. Med. Ref. Serv. Q. 26(3), 21-45 (2007)
-
(2007)
Med. Ref. Serv. Q.
, vol.26
, Issue.3
, pp. 21-45
-
-
Hochstein, C.1
Arnesen, S.2
Goshorn, J.3
-
16
-
-
70049099472
-
Lowering industry firewalls: Pre-competitive informatics initiatives in drug discovery
-
Barnes MR, Harland L, Foord SM et al. Lowering industry firewalls: pre-competitive informatics initiatives in drug discovery. Nat. Rev. Drug Discov. 8(9), 701-708 (2009).
-
(2009)
Nat. Rev. Drug Discov.
, vol.8
, Issue.9
, pp. 701-708
-
-
Barnes, M.R.1
Harland, L.2
Foord, S.M.3
-
17
-
-
43049159565
-
The Innovative Medicines Initiative: A pre-competitive initiative to enhance the biomedical science base of Europe to expedite the development of new medicines for patients
-
Hunter AJ. The Innovative Medicines Initiative: a pre-competitive initiative to enhance the biomedical science base of Europe to expedite the development of new medicines for patients. Drug Discov. Today 13(9-10), 371-373 (2008).
-
(2008)
Drug Discov. Today
, vol.13
, Issue.9-10
, pp. 371-373
-
-
Hunter, A.J.1
-
18
-
-
67650506936
-
Open access chemical and clinical probes to support drug discovery
-
Edwards AM, Bountra C, Kerr DJ, Willson TM. Open access chemical and clinical probes to support drug discovery. Nat. Chem. Biol. 5(7), 436-440 (2009).
-
(2009)
Nat. Chem. Biol.
, vol.5
, Issue.7
, pp. 436-440
-
-
Edwards, A.M.1
Bountra, C.2
Kerr, D.J.3
Willson, T.M.4
-
19
-
-
34249000046
-
A high-throughput screen for aggregation-based inhibition in a large compound library
-
Feng BY, Simeonov A, Jadhav A et al. A high-throughput screen for aggregation-based inhibition in a large compound library. J. Med. Chem. 50(10), 2385-2390 (2007).
-
(2007)
J. Med. Chem.
, vol.50
, Issue.10
, pp. 2385-2390
-
-
Feng, B.Y.1
Simeonov, A.2
Jadhav, A.3
-
20
-
-
77952028876
-
Profiling the NIH Small Molecule Repository for compounds that generate H2O2 by redox cycling in reducing environments
-
in press
-
Soares KM, Blackmon N, Shun TY et al. Profiling the NIH Small Molecule Repository for compounds that generate H2O2 by redox cycling in reducing environments. Assay Drug Dev. Technol. (2010) in press.
-
(2010)
Assay Drug Dev. Technol.
-
-
Soares, K.M.1
Blackmon, N.2
Shun, T.Y.3
-
21
-
-
58149136373
-
Are the chemical structures in your QSAR correct?
-
Young D, Martin T, Venkatapathy R, Harten P. Are the chemical structures in your QSAR correct? QSAR Comb. Sci. 27(11-12), 1337-1345 (2008).
-
(2008)
QSAR Comb. Sci.
, vol.27
, Issue.11-12
, pp. 1337-1345
-
-
Young, D.1
Martin, T.2
Venkatapathy, R.3
Harten, P.4
-
22
-
-
77950408373
-
CDK-Taverna: An open workflow environment for cheminformatics
-
Kuhn T, Willighagen EL, Zielesny A, Steinbeck C. CDK-Taverna: an open workflow environment for cheminformatics. BMC Bioinformatics 11(1), 159 (2010).
-
(2010)
BMC Bioinformatics
, vol.11
, Issue.1
, pp. 159
-
-
Kuhn, T.1
Willighagen, E.L.2
Zielesny, A.3
Steinbeck, C.4
-
23
-
-
33847772616
-
Bioclipse: An open source workbench for chemo-and bioinformatics
-
Spjuth O, Helmus T, Willighagen EL et al. Bioclipse: an open source workbench for chemo-and bioinformatics. BMC Bioinformatics 8, 59 (2007).
-
(2007)
BMC Bioinformatics
, vol.8
, pp. 59
-
-
Spjuth, O.1
Helmus, T.2
Willighagen, E.L.3
-
24
-
-
84879557098
-
KNIME: The Konstanz Information Miner
-
Preisach C, Schmidt-Thieme L (Eds). Springer-Verlag, Berlin
-
Berthold MR, Cebron N, Dill F et al. KNIME: The Konstanz Information Miner. In: Data Analysis, Machine Learning and Applications. Preisach C, Schmidt-Thieme L (Eds). Springer-Verlag, Berlin, 319-326 (2008).
-
(2008)
Data Analysis, Machine Learning and Applications
, pp. 319-326
-
-
Berthold, M.R.1
Cebron, N.2
Dill, F.3
-
25
-
-
79955992318
-
Enabling tailored therapeutics with linked data
-
Presented at: Madrid Spain 20 April
-
Jentzsch A, Hassanzadeh O, Bizer C, Andersson B, Stephens S. Enabling tailored therapeutics with linked data. Presented at: The 2nd Workshop about Linked Data on the Web. Madrid, Spain, 20 April 2009.
-
(2009)
The 2nd Workshop about Linked Data on the Web
-
-
Jentzsch, A.1
Hassanzadeh, O.2
Bizer, C.3
Andersson, B.4
Stephens, S.5
-
26
-
-
48249158190
-
Bio2RDF: Towards a mashup to build bioinformatics knowledge systems
-
Belleau F, Nolin MA, Tourigny N, Rigault P, Morissette J. Bio2RDF: towards a mashup to build bioinformatics knowledge systems. J. Biomed. Inform. 41(5), 706-716 (2008).
-
(2008)
J. Biomed. Inform.
, vol.41
, Issue.5
, pp. 706-716
-
-
Belleau, F.1
Ma, N.2
Tourigny, N.3
Rigault, P.4
Morissette, J.5
-
27
-
-
67449168984
-
The IUPAC international chemical identifier (InChI)
-
Heller SR, McNaught AD. The IUPAC international chemical identifier (InChI). Chem. Int. 31(1), 7 (2009).
-
(2009)
Chem. Int.
, vol.31
, Issue.1
, pp. 7
-
-
Heller, S.R.1
McNaught, A.D.2
-
28
-
-
55349104084
-
Genomic-scale prioritization of drug targets: The TDR targets database
-
Agüero F, Al-Lazikani B, Aslett M et al. Genomic-scale prioritization of drug targets: the TDR targets database. Nat. Rev. Drug Discov. 7(11), 900-907 (2008).
-
(2008)
Nat. Rev. Drug Discov.
, vol.7
, Issue.11
, pp. 900-907
-
-
Agüero, F.1
Al-Lazikani, B.2
Aslett, M.3
-
29
-
-
77950531688
-
Precompetitive preclinical ADME/Tox data: Set it free on the web to facilitate computational model building and assist drug development
-
Ekins S, Williams AJ. Precompetitive preclinical ADME/Tox data: set it free on the web to facilitate computational model building and assist drug development. Lab Chip 10(1), 13-22 (2010).
-
(2010)
Lab Chip
, vol.10
, Issue.1
, pp. 13-22
-
-
Ekins, S.1
Williams, A.J.2
-
30
-
-
65249117009
-
Optical structure recognition software to recover chemical information: OSRA, an open source solution
-
Filippov IV, Nicklaus MC. Optical structure recognition software to recover chemical information: OSRA, an open source solution. J. Chem. Inf. Model. 49(3), 740-743 (2009).
-
(2009)
J. Chem. Inf. Model.
, vol.49
, Issue.3
, pp. 740-743
-
-
Filippov, I.V.1
Nicklaus, M.C.2
-
31
-
-
73449101512
-
Lessons for 60 years of pharmaceutical innovation
-
Munos B. Lessons for 60 years of pharmaceutical innovation. Nat. Rev. Drug Discov. 8(12), 959-968 (2009).
-
(2009)
Nat. Rev. Drug Discov.
, vol.8
, Issue.12
, pp. 959-968
-
-
Munos, B.1
-
32
-
-
66749150437
-
Open innovation networks between academia and industry: An imperative for breakthrough therapies
-
Melese T, Lin SM, Chang JL, Cohen NH. Open innovation networks between academia and industry: an imperative for breakthrough therapies. Nat. Med. 15(5), 502-507 (2009).
-
(2009)
Nat. Med.
, vol.15
, Issue.5
, pp. 502-507
-
-
Melese, T.1
Lin, S.M.2
Chang, J.L.3
Cohen, N.H.4
-
33
-
-
77953638156
-
A call for sharing: Adapting pharmaceutical research to new realities
-
Munos BH, Chin WW. A call for sharing: adapting pharmaceutical research to new realities. Sci. Transl. Med. 1(9), 9 (2009).
-
(2009)
Sci. Transl. Med.
, vol.1
, Issue.9
, pp. 9
-
-
Munos, B.H.1
Chin, W.W.2
|