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 | 482 | 2017 |
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 | 132 | 2004 |
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 | 101 | 2016 |
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 | 75 | 2009 |
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 | 34 | 2009 |
Protein structure topological comparison, discovery and matching service GM Torrance, DR Gilbert, I Michalopoulos, DW Westhead Bioinformatics 21 (10), 2537-2538, 2005 | 22 | 2005 |
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, ... | 10 | 2017 |
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 | 6 | 2003 |
Domain discovery method for topological profile searches in protein structures J Viksna, D Gilbert, G Torrance Genome Informatics 15 (2), 72-81, 2004 | 4 | 2004 |
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 | 1 | 2009 |
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, ... | | |