-
1
-
-
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. et al. (2012) ChEMBL: a large-scale bioactivity database for drug discovery. Nucleic Acids Res., 40, D1100-D1107.
-
(2012)
Nucleic Acids Res.
, vol.40
, pp. D1100-D1107
-
-
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
-
2
-
-
84891762026
-
The ChEMBL bioactivity database: An update
-
Bento, A.P., Gaulton, A., Hersey, A., Bellis, L.J., Chambers, J., Davies, M., Krüger, F.A., Light, Y., Mak, L., McGlinchey, S. et al. (2014) The ChEMBL bioactivity database: an update. Nucleic Acids Res., 42, D1083-D1090.
-
(2014)
Nucleic Acids Res.
, vol.42
, pp. D1083-D1090
-
-
Bento, A.P.1
Gaulton, A.2
Hersey, A.3
Bellis, L.J.4
Chambers, J.5
Davies, M.6
Krüger, F.A.7
Light, Y.8
Mak, L.9
McGlinchey, S.10
-
3
-
-
84892751031
-
MyChEMBL: A virtual machine implementation of open data and cheminformatics tools
-
Ochoa, R., Davies, M., Papadatos, G., Atkinson, F. and Overington, J.P. (2014) myChEMBL: a virtual machine implementation of open data and cheminformatics tools. Bioinformatics, 30, 298-300.
-
(2014)
Bioinformatics
, vol.30
, pp. 298-300
-
-
Ochoa, R.1
Davies, M.2
Papadatos, G.3
Atkinson, F.4
Overington, J.P.5
-
4
-
-
84925641575
-
MyChEMBL: A virtual platform for distributing cheminformatics tools and Open Data
-
Davies, M., Nowotka, M., Papadatos, G., Atkinson, F., van Westen, G.J., Dedman, N., Ochoa, R. and Overington, J.P. (2014) MyChEMBL: a virtual platform for distributing cheminformatics tools and Open Data. Challenges, 5, 334-337.
-
(2014)
Challenges
, vol.5
, pp. 334-337
-
-
Davies, M.1
Nowotka, M.2
Papadatos, G.3
Atkinson, F.4
Van Westen, G.J.5
Dedman, N.6
Ochoa, R.7
Overington, J.P.8
-
5
-
-
84899523552
-
The EBI RDF platform: Linked open data for the life sciences
-
Jupp, S., Malone, J., Bolleman, J., Brandizi, M., Davies, M., Garcia, L., Gaulton, A., Gehant, S., Laibe, C., Redaschi, N. et al. (2014) The EBI RDF platform: linked open data for the life sciences. Bioinformatics, 30, 1338-1339.
-
(2014)
Bioinformatics
, vol.30
, pp. 1338-1339
-
-
Jupp, S.1
Malone, J.2
Bolleman, J.3
Brandizi, M.4
Davies, M.5
Garcia, L.6
Gaulton, A.7
Gehant, S.8
Laibe, C.9
Redaschi, N.10
-
6
-
-
33846108633
-
BindingDB: A web-accessible database of experimentally determined protein-ligand binding affinities
-
Liu, T., Lin, Y., Wen, X., Jorissen, R.N. and Gilson, M.K. (2007) BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities. Nucleic Acids Res., 35, D198-D201.
-
(2007)
Nucleic Acids Res.
, vol.35
, pp. D198-D201
-
-
Liu, T.1
Lin, Y.2
Wen, X.3
Jorissen, R.N.4
Gilson, M.K.5
-
7
-
-
67849104638
-
PubChem: A public information system for analyzing bioactivities of small molecules
-
Wang, Y., Xiao, J., Suzek, T.O., Zhang, J., Wang, J. and Bryant, S.H. (2009) PubChem: a public information system for analyzing bioactivities of small molecules. Nucleic Acids Res., 37, W623-W633.
-
(2009)
Nucleic Acids Res.
, vol.37
, pp. W623-W633
-
-
Wang, Y.1
Xiao, J.2
Suzek, T.O.3
Zhang, J.4
Wang, J.5
Bryant, S.H.6
-
8
-
-
84861400021
-
PubChem's BioAssay database
-
Wang, Y., Xiao, J., Suzek, T.O., Zhang, J., Wang, J., Zhou, Z., Han, L., Karapetyan, K., Dracheva, S., Shoemaker, B.A. et al. (2012) PubChem's BioAssay database. Nucleic Acids Res., 40, D400-D412.
-
(2012)
Nucleic Acids Res.
, vol.40
, pp. D400-D412
-
-
Wang, Y.1
Xiao, J.2
Suzek, T.O.3
Zhang, J.4
Wang, J.5
Zhou, Z.6
Han, L.7
Karapetyan, K.8
Dracheva, S.9
Shoemaker, B.A.10
-
9
-
-
0001708959
-
Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited
-
Dalby, A., Nourse, J.G., Hounshell, W.D., Gushurst, A.K.I., Grier, D.L., Leland, B.A. and Laufer, J. (1992) Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited. J. Chem. Inf. Comput. Sci., 32, 244-255.
-
(1992)
J. Chem. Inf. Comput. Sci.
, vol.32
, pp. 244-255
-
-
Dalby, A.1
Nourse, J.G.2
Hounshell, W.D.3
Gushurst, A.K.I.4
Grier, D.L.5
Leland, B.A.6
Laufer, J.7
-
10
-
-
0023965741
-
SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
-
Weininger, D. (1988) SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules. J. Chem. Inf. Comput. Sci., 28, 31-36.
-
(1988)
J. Chem. Inf. Comput. Sci.
, vol.28
, pp. 31-36
-
-
Weininger, D.1
-
11
-
-
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. and Willighagen, E. (2003) The Chemistry Development Kit (CDK): an open-source Java library for chemo- and bioinformatics. J. Chem. Inf. Comput. Sci., 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
-
12
-
-
84973406626
-
ChEMBL Beaker: A lightweight web framework providing robust and extensible cheminformatics services
-
Nowotka, M., Davies, M., Papadatos, G. and Overington, J.P. (2014) ChEMBL Beaker: a lightweight web framework providing robust and extensible cheminformatics services. Challenges, 5, 444-449.
-
(2014)
Challenges
, vol.5
, pp. 444-449
-
-
Nowotka, M.1
Davies, M.2
Papadatos, G.3
Overington, J.P.4
-
13
-
-
84882310107
-
The Taverna workflow suite: Designing and executing workflows of Web Services on the desktop, web or in the cloud
-
Wolstencroft, K., Haines, R., Fellows, D., Williams, A., Withers, D., Owen, S., Soiland-Reyes, S., Dunlop, I., Nenadic, A., Fisher, P. et al. (2013) The Taverna workflow suite: designing and executing workflows of Web Services on the desktop, web or in the cloud. Nucleic Acids Res., 41, W557-W561.
-
(2013)
Nucleic Acids Res.
, vol.41
, pp. W557-W561
-
-
Wolstencroft, K.1
Haines, R.2
Fellows, D.3
Williams, A.4
Withers, D.5
Owen, S.6
Soiland-Reyes, S.7
Dunlop, I.8
Nenadic, A.9
Fisher, P.10
-
14
-
-
84879557098
-
KNIME: The konstanz information miner
-
Preisach, C, Burkhardt, H, Schmidt-Thieme, L and Decker, R (eds). Springer, Berlin Heidelberg
-
Berthold, M., Cebron, N., Dill, F., Gabriel, T., Kötter, T., Meinl, T., Ohl, P., Sieb, C., Thiel, K. and Wiswedel, B. (2008) KNIME: The Konstanz Information Miner. In: Preisach, C, Burkhardt, H, Schmidt-Thieme, L and Decker, R (eds). Data Analysis, Machine Learning and Applications. Springer, Berlin Heidelberg, pp. 319-326.
-
(2008)
Data Analysis, Machine Learning and Applications
, pp. 319-326
-
-
Berthold, M.1
Cebron, N.2
Dill, F.3
Gabriel, T.4
Kötter, T.5
Meinl, T.6
Ohl, P.7
Sieb, C.8
Thiel, K.9
Wiswedel, B.10
-
15
-
-
0025183708
-
Basic local alignment search tool
-
Altschul, S.F., Gish, W., Miller, W., Myers, E.W. and Lipman, D.J. (1990) Basic local alignment search tool. J. Mol. Biol., 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
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