-
1
-
-
75549092202
-
Chemical Entities of Biological Interest: An update
-
de Matos, P., Alcantara, R., Dekker, A., Ennis, M., Hastings, J., Haug, K., Spiteri, I., Turner, S., and Steinbeck, C. (2010) Chemical Entities of Biological Interest: an update, Nucl. Acids Res. 38, D249-254.
-
(2010)
Nucl. Acids Res.
, vol.38
-
-
De Matos, P.1
Alcantara, R.2
Dekker, A.3
Ennis, M.4
Hastings, J.5
Haug, K.6
Spiteri, I.7
Turner, S.8
Steinbeck, C.9
-
2
-
-
84858451773
-
-
Accessed 1 March 2010
-
ChEMBL DB. http://www.ebi.ac.uk/chembldb. Accessed 1 March 2010.
-
-
-
-
3
-
-
61349123517
-
-
Accessed 1 March 2010
-
Symyx CTFile formats. http://www.symyx.com/solutions/white-papers/ctfile- formats.jsp. Accessed 1 March 2010.
-
Symyx CTFile Formats
-
-
-
4
-
-
27744585251
-
An open standard for chemical structure representation - The IUPAC chemical identifier
-
Stein, S. E., Heller, S. R., and Tchekhovskoi, D. (2003) An Open Standard for Chemical Structure Representation - The IUPAC Chemical Identifier, International Chemical Information Conference, 131-143.
-
(2003)
International Chemical Information Conference
, pp. 131-143
-
-
Stein, S.E.1
Heller, S.R.2
Tchekhovskoi, D.3
-
5
-
-
0024664539
-
SMILES. 2. Algorithm for generation of unique SMILES notation
-
Weininger, D., Weininger, A., and Weininger, J. L. (1989) SMILES. 2. Algorithm for generation of unique SMILES notation, Journal of Chemical Information and Computer Sciences 29, 97-101.
-
(1989)
Journal of Chemical Information and Computer Sciences
, vol.29
, pp. 97-101
-
-
Weininger, D.1
Weininger, A.2
Weininger, J.L.3
-
6
-
-
84858448324
-
-
Accessed 1 March 2010
-
CiteXplore database. http://www.ebi.ac.uk/citexplore. Accessed 1 March 2010.
-
CiteXplore Database
-
-
-
7
-
-
0032026995
-
Knowledge Engineering: Principles and methods
-
PII S0169023X97000566
-
Studer, R., Benjamins, V. R., and Fensel, D. (1998) Knowledge engineering: Principles and methods, Data & Knowledge Engineering 25, 161-197. (Pubitemid 128421870)
-
(1998)
Data and Knowledge Engineering
, vol.25
, Issue.1-2
, pp. 161-197
-
-
Studer, R.1
Benjamins, V.R.2
Fensel, D.3
-
8
-
-
0034069495
-
Gene ontology: Tool for the unification of biology
-
DOI 10.1038/75556
-
Ashburner, M., Ball, C. A., Blake, J. A., Botstein, D., Butler, H., Cherry, J. M., Davis, A. P., Dolinski, K., Dwight, S. S., Eppig, J. T., Harris, M. A., Hill, D. P., Issel-Tarver, L., Kasarskis, A., Lewis, S., Matese, J. C., Richardson, J. E., Ringwald, M., Rubin, G. M., and Sherlock, G. (2000) Gene ontology: tool for the unification of biology. The Gene Ontology Consortium, Nature Genetics 25, 25-29. (Pubitemid 30257031)
-
(2000)
Nature Genetics
, vol.25
, Issue.1
, pp. 25-29
-
-
Ashburner, M.1
Ball, C.A.2
Blake, J.A.3
Botstein, D.4
Butler, H.5
Cherry, J.M.6
Davis, A.P.7
Dolinski, K.8
Dwight, S.S.9
Eppig, J.T.10
Harris, M.A.11
Hill, D.P.12
Issel-Tarver, L.13
Kasarskis, A.14
Lewis, S.15
Matese, J.C.16
Richardson, J.E.17
Ringwald, M.18
Rubin, G.M.19
Sherlock, G.20
more..
-
9
-
-
0033982936
-
KEGG: Kyoto Encyclopedia of Genes and Genomes
-
Kanehisa, M., and Goto, S. (2000) KEGG: Kyoto Encyclopedia of Genes and Genomes, Nucl. Acids Res. 28, 27-30. (Pubitemid 30047706)
-
(2000)
Nucleic Acids Research
, vol.28
, Issue.1
, pp. 27-30
-
-
Kanehisa, M.1
Goto, S.2
-
10
-
-
9144253910
-
IntEnz, the integrated relational enzyme database
-
Fleischmann, A., Darsow, M., Degtyarenko, K., Fleischmann, W., Boyce, S., Axelsen, K., Bairoch, A., Schomburg, D., Tipton, K., and Apweiler, R. (2004) IntEnz, the integrated relational enzyme database, Nucl. Acids Res. 32, D434-437. (Pubitemid 38081693)
-
(2004)
Nucleic Acids Research
, vol.32
, Issue.DATABASE ISS.
-
-
Fleischmann, A.1
Darsow, M.2
Degtyarenko, K.3
Fleischmann, W.4
Boyce, S.5
Axelsen, K.B.6
Bairoch, A.7
Schomburg, D.8
Tipton, K.F.9
Apweiler, R.10
-
11
-
-
65949091370
-
Survey-based naming conventions for use in OBO Foundry ontology development
-
Schober, D., Smith, B., Lewis, S., Kusnierczyk, W., Lomax, J., Mungall, C., Taylor, C., Serra, P., and Sansone, S. (2009) Survey-based naming conventions for use in OBO Foundry ontology development, BMC Bioinformatics 10, 125.
-
(2009)
BMC Bioinformatics
, vol.10
, pp. 125
-
-
Schober, D.1
Smith, B.2
Lewis, S.3
Kusnierczyk, W.4
Lomax, J.5
Mungall, C.6
Taylor, C.7
Serra, P.8
Sansone, S.9
-
12
-
-
4644245700
-
NMRShiftDB - Compound identification and structure elucidation support through a free community-built web database
-
DOI 10.1016/j.phytochem.2004.08.027, PII S003194220400408X
-
Steinbeck, C., and Kuhn, S. (2004) NMRShiftDB - compound identification and structure elucidation support through a free community-built web database, Phytochemistry 65, 2711-2717 (Pubitemid 39298169)
-
(2004)
Phytochemistry
, vol.65
, Issue.19
, pp. 2711-2717
-
-
Steinbeck, C.1
Kuhn, S.2
-
13
-
-
67849104638
-
PubChem: A public information system for analyzing bioactivities of small molecules
-
Wang, Y., Xiao, J., Suzek, T., Zhang, J., Wang, J., and Bryant, S. (2009) PubChem: a public information system for analyzing bioactivities of small molecules, Nucl. Acids Res. 37, W623-633.
-
(2009)
Nucl. Acids Res.
, vol.37
-
-
Wang, Y.1
Xiao, J.2
Suzek, T.3
Zhang, J.4
Wang, J.5
Bryant, S.6
-
14
-
-
74049141327
-
OrChem- An open source chemistry search engine for Oracle(R)
-
Rijnbeek, M., and Steinbeck, C. (2009) OrChem- An open source chemistry search engine for Oracle(R), Journal of Cheminformatics 1, 17.
-
(2009)
Journal of Cheminformatics
, vol.1
, pp. 17
-
-
Rijnbeek, M.1
Steinbeck, C.2
-
15
-
-
0002024882
-
JChemPaint - Using the collaborative forces of the internet to develop a free editor for 2D chemical structures
-
Krause, S., Willighagen, E., and Steinbeck, C. JChemPaint - Using the Collaborative Forces of the Internet to Develop a Free Editor for 2D Chemical Structures, Molecules, 93-98.
-
Molecules
, pp. 93-98
-
-
Krause, S.1
Willighagen, E.2
Steinbeck, C.3
-
17
-
-
33645348241
-
The Ontology Lookup Service, a lightweight cross-platform tool for controlled vocabulary queries
-
Cote, R., Jones, P., Apweiler, R., and Hermjakob, H. (2006) The Ontology Lookup Service, a lightweight cross-platform tool for controlled vocabulary queries, BMC Bioinformatics 7, 97.
-
(2006)
BMC Bioinformatics
, vol.7
, pp. 97
-
-
Cote, R.1
Jones, P.2
Apweiler, R.3
Hermjakob, H.4
-
18
-
-
84858451774
-
-
ChEBI Web Services. http://www.ebi.ac.uk/chebi/webServices.do
-
-
-
-
19
-
-
0035013293
-
Development of chemical markup language (CML) as a system for handling complex chemical content
-
DOI 10.1039/b008780g
-
Murray-Rust, P., Rzepa, H., and Wright, M. (2001) Development of chemical markup language (CML) as a system for handling complex chemical content, New J. Chem. 25, 618-634. (Pubitemid 32523097)
-
(2001)
New Journal of Chemistry
, vol.25
, Issue.4
, pp. 618-634
-
-
Murray-Rust, P.1
Rzepa, H.S.2
Wright, M.3
-
20
-
-
84858446439
-
-
Accessed 1 March 2010
-
ChEBI Downloads. http://www.ebi.ac.uk/chebi/downloadsForward.do. Accessed 1 March 2010.
-
-
-
-
21
-
-
33847772616
-
Bioclipse: An open source workbench for chemo- and bioinformatics
-
Spjuth, O., Helmus, T., Willighagen, E., Kuhn, S., Eklund, M., Wagener, J., Rust, P., Steinbeck, C., and Wikberg, J. (2007) Bioclipse: an open source workbench for chemo- and bioinformatics, BMC Bioinformatics 8, 59.
-
(2007)
BMC Bioinformatics
, vol.8
, pp. 59
-
-
Spjuth, O.1
Helmus, T.2
Willighagen, E.3
Kuhn, S.4
Eklund, M.5
Wagener, J.6
Rust, P.7
Steinbeck, C.8
Wikberg, J.9
-
22
-
-
33745135773
-
Recent developments of the Chemistry Development Kit (CDK) - An open-source Java library for chemo- and bioinformatics
-
DOI 10.2174/138161206777585274
-
Steinbeck, C., Hoppe, C., Kuhn, S., Floris, M., Guha, R., and Willighagen, E. (2006) Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics, Current Pharmaceutical Design 12, 2111-2120(2110). (Pubitemid 43891407)
-
(2006)
Current Pharmaceutical Design
, vol.12
, Issue.17
, pp. 2111-2120
-
-
Steinbeck, C.1
Hoppe, C.2
Kuhn, S.3
Floris, M.4
Guha, R.5
Willighagen, E.L.6
-
23
-
-
34548595489
-
OBO-Edit an ontology editor for biologists
-
Day-Richter, J., Harris, M., Haendel, M., The Gene Ontology, O. B. O., and Lewis, S. (2007) OBO-Edit an ontology editor for biologists, Bioinformatics 23, 2198-2200.
-
(2007)
Bioinformatics
, vol.23
, pp. 2198-2200
-
-
Day-Richter, J.1
Harris, M.2
Haendel, M.3
Lewis, S.4
|