-
2
-
-
33644526245
-
Automated QSPR through competitive workflow
-
J. Cartmell, S. Enoch, D. Krstajic, D.E. Leahy, Automated QSPR through competitive workflow, Journal of Computer-Aided Molecular Design 19 (11) (2005) 821-833.
-
(2005)
Journal of Computer-Aided Molecular Design
, vol.19
, Issue.11
, pp. 821-833
-
-
Cartmell, J.1
Enoch, S.2
Krstajic, D.3
Leahy, D.E.4
-
3
-
-
84872927163
-
-
Technical Report: CS-TR-1227, Newcastle University
-
H. Hiden, P. Watson, S. Woodman, D. Leahy, e-Science central: cloud-based e-Science and its application to chemical property modelling, Technical Report: CS-TR-1227, Newcastle University, 2010.
-
(2010)
e-Science Central: Cloud-based e-Science and Its Application to Chemical Property Modelling
-
-
Hiden, H.1
Watson, P.2
Woodman, S.3
Leahy, D.4
-
4
-
-
85030494338
-
Accelerating chemical property prediction with cloud computing
-
Presentation, Available on-line: (accessed: 2.03.12)
-
P. Watson, et al. Accelerating chemical property prediction with cloud computing, in: Microsoft Research eScience Workshop, Berkeley, CA, US, 2010. Presentation, Available on-line: http://www.esciencecentral.co.uk/docs/2010-10. MSFTe-Science-slides.pdf (accessed: 2.03.12).
-
Microsoft Research eScience Workshop, Berkeley, CA, US, 2010
-
-
Watson, P.1
-
5
-
-
3242701695
-
Methods for applying the quantitative structure-activity relationship paradigm
-
Clifton, NJ
-
E.X. Esposito, A.J. Hopfinger, J.D. Madura, Methods for applying the quantitative structure-activity relationship paradigm, Methods in Molecular Biology 275 (2004) 131-214. (Clifton, NJ).
-
(2004)
Methods in Molecular Biology
, vol.275
, pp. 131-214
-
-
Esposito, E.X.1
Hopfinger, A.J.2
Madura, J.D.3
-
6
-
-
0023965741
-
SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
-
D. Weininger, SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules, Journal of Chemical Information and Computer Sciences 28 (1988) 31-36.
-
(1988)
Journal of Chemical Information and Computer Sciences
, vol.28
, pp. 31-36
-
-
Weininger, D.1
-
7
-
-
78349256708
-
e-Science central for CARMEN: Science as a service
-
P. Watson, H. Hiden, S. Woodman, e-Science central for CARMEN: science as a service, Concurrency and Computation: Practice and Experience 22 (17) (2010) 2369-2380.
-
(2010)
Concurrency and Computation: Practice and Experience
, vol.22
, Issue.17
, pp. 2369-2380
-
-
Watson, P.1
Hiden, H.2
Woodman, S.3
-
10
-
-
56749170954
-
Falkon: A Fast and Light-weight tasK executiON framework
-
I. Raicu, Y. Zhao, C. Dumitrescu, I. Foster, M. Wilde, Falkon: a Fast and Light-weight tasK executiON framework, in: Proceedings of the 2007 ACM/IEEE conference on Supercomputing-SC'07, 2007, pp. 1-12.
-
Proceedings of the 2007 ACM/IEEE Conference on Supercomputing-SC'07, 2007
, pp. 1-12
-
-
Raicu, I.1
Zhao, Y.2
Dumitrescu, C.3
Foster, I.4
Wilde, M.5
-
11
-
-
77955308515
-
Scaling up workflow-based applications
-
S. Callaghan, et al., Scaling up workflow-based applications, Journal of Computer and System Sciences 76 (6) (2010) 428-446.
-
(2010)
Journal of Computer and System Sciences
, vol.76
, Issue.6
, pp. 428-446
-
-
Callaghan, S.1
-
12
-
-
84870299967
-
QSAR modeling and QSAR based virtual screening, complexity and challenges of modern
-
R.A. Meyers (Ed.)
-
A. Tropsha, QSAR modeling and QSAR based virtual screening, complexity and challenges of modern, in: R.A. Meyers (Ed.), Encyclopedia of Complexity and Systems Science, 2009, pp. 7071-7088.
-
(2009)
Encyclopedia of Complexity and Systems Science
, pp. 7071-7088
-
-
Tropsha, A.1
-
13
-
-
85030494953
-
QSAR workbench: Guided QSAR model building for nonexperts
-
Presentation, Available on-line: (accessed: 2.03.12)
-
C. Luscombe, QSAR workbench: guided QSAR model building for nonexperts, in: The UKQSAR and ChemoInformatics Group, Cambridge, UK, 2011. Presentation, Available on-line: http://www.ukqsar.org/slides/Nov2011-Luscombe.pdf (accessed: 2.03.12).
-
The UKQSAR and ChemoInformatics Group, Cambridge, UK, 2011
-
-
Luscombe, C.1
-
14
-
-
83455163851
-
Automated QSAR with a hierarchy of global and local models
-
D.J. Wood, D. Buttar, J.G. Cumming, A.M. Davis, U. Norinder, S.L. Rodgers, Automated QSAR with a hierarchy of global and local models, Molecular Informatics (2011) 960-972.
-
(2011)
Molecular Informatics
, pp. 960-972
-
-
Wood, D.J.1
Buttar, D.2
Cumming, J.G.3
Davis, A.M.4
Norinder, U.5
Rodgers, S.L.6
-
15
-
-
85030491768
-
AutoQSAR automation of the QSAR modelling process
-
Presentation at Presentation, Available on-line: (accessed: 2.03.12)
-
D. Wood, A. Davis, S. Rodgers, AutoQSAR automation of the QSAR modelling process, in: Presentation at UK-QSAR-Autumn Meeting 2011. The UKQSAR and ChemoInformatics Group, Cambridge, UK, 2011. Presentation, Available on-line: http://www.ukqsar.org/slides/Nov2011-Wood.pdf (accessed: 2.03.12).
-
UK-QSAR-Autumn Meeting 2011. The UKQSAR and ChemoInformatics Group, Cambridge, UK, 2011
-
-
Wood, D.1
Davis, A.2
Rodgers, S.3
-
16
-
-
59849095285
-
Workflows and e-Science: An overview of workflow system features and capabilities
-
E. Deelman, D. Gannon, M. Shields, I. Taylor, Workflows and e-Science: an overview of workflow system features and capabilities, Future Generation Computer Systems 25 (5) (2008) 528-540.
-
(2008)
Future Generation Computer Systems
, vol.25
, Issue.5
, pp. 528-540
-
-
Deelman, E.1
Gannon, D.2
Shields, M.3
Taylor, I.4
-
17
-
-
77955096331
-
Middleware support for many-task computing
-
I. Raicu, et al., Middleware support for many-task computing, Cluster Computing 13 (3) (2010) 291-314.
-
(2010)
Cluster Computing
, vol.13
, Issue.3
, pp. 291-314
-
-
Raicu, I.1
|