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gilleain torrance
gilleain torrance
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The Chemistry Development Kit (CDK) v2. 0: atom typing, depiction, molecular formulas, and substructure searching
EL Willighagen, JW Mayfield, J Alvarsson, A Berg, L Carlsson, ...
Journal of cheminformatics 9, 1-19, 2017
4442017
TOPS: an enhanced database of protein structural topology
I Michalopoulos, GM Torrance, DR Gilbert, DR Westhead
Nucleic acids research 32 (suppl_1), D251-D254, 2004
1292004
Reaction Decoder Tool (RDT): Extracting Features from Chemical Reactions
CSJMT SA Rahman, G Torrance, L Baldacci, SM Cuesta, F Fenninger, N Gopal, S ...
Bioinformatics 32 (13), 2065-2066, 2016
892016
Bioclipse 2: A scriptable integration platform for the life sciences
O Spjuth, J Alvarsson, A Berg, M Eklund, S Kuhn, C Mäsak, G Torrance, ...
BMC bioinformatics 10, 1-5, 2009
742009
A novel main chain motif in proteins bridged by cationic groups: the niche
GM Torrance, DP Leader, DR Gilbert, EJ Milner-White
Journal of Molecular Biology 385 (4), 1076-1086, 2009
332009
Protein structure topological comparison, discovery and matching service
GM Torrance, DR Gilbert, I Michalopoulos, DW Westhead
Bioinformatics 21 (10), 2537-2538, 2005
212005
The chemistry development kit (CDK) v2. 0: atom typing, depiction, molecular formulas, and substructure searching. J Cheminf
EL Willighagen, JW Mayfield, J Alvarsson, A Berg, L Carlsson, ...
82017
Protein structure comparison based on profiles of topological motifs: a feasible way to deal with information from negative examples.
J Viksna, DR Gilbert, GM Torrance
German Conference on Bioinformatics, 159-165, 2003
62003
Domain discovery method for topological profile searches in protein structures
J Viksna, D Gilbert, G Torrance
Genome Informatics 15 (2), 72-81, 2004
42004
Building blocks for automated elucidation of metabolites: Machine learning methods for NMR prediction
C Steinbeck, S Kuhn, S Neumann, B Egert, G Torrance
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 237, 2009
12009
Components for computer-assisted structure elucidation
S Kuhn, G Torrance, C Steinbeck
Chemistry Central Journal 3, 1-1, 2009
2009
A fast pattern-matching system on a protein topology database
D Gilbert, G Torrance, J Viksna, N Dhulia, D Mamtora, D Westhead, ...
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Artigos 1–12