OSCAR4: a flexible architecture for chemical text-mining DM Jessop, SE Adams, EL Willighagen, L Hawizy, P Murray-Rust Journal of cheminformatics 3 (1), 41, 2011 | 262 | 2011 |
Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on NM O'Boyle, R Guha, EL Willighagen, SE Adams, J Alvarsson, JC Bradley, ... Journal of Cheminformatics 3, 37, 2011 | 100 | 2011 |
Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse L Carlsson, O Spjuth, S Adams, RC Glen, S Boyer BMC bioinformatics 11, 1-7, 2010 | 94 | 2010 |
Similarity metrics and descriptor spaces–which combinations to choose? RC Glen, SE Adams QSAR & Combinatorial Science 25 (12), 1133-1142, 2006 | 57 | 2006 |
The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age S Adams, P de Castro, P Echenique, J Estrada, MD Hanwell, ... Journal of cheminformatics 3, 1-27, 2011 | 55 | 2011 |
The semantics of Chemical Markup Language (CML): dictionaries and conventions P Murray-Rust, JA Townsend, SE Adams, W Phadungsukanan, J Thomas Journal of cheminformatics 3, 1-12, 2011 | 52 | 2011 |
Molecular similarity and xenobiotic metabolism SE Adams | 48 | 2010 |
Mining chemical information from open patents DM Jessop, SE Adams, P Murray-Rust Journal of cheminformatics 3 (1), 40, 2011 | 46 | 2011 |
How do metabolites differ from their parent molecules and how are they excreted? J Kirchmair, A Howlett, JE Peironcely, DS Murrell, MJ Williamson, ... Journal of chemical information and modeling 53 (2), 354-367, 2013 | 45 | 2013 |
Chemical documents: machine understanding and automated information extraction JA Townsend, SE Adams, CA Waudby, VK de Souza, JM Goodman, ... Organic & biomolecular chemistry 2 (22), 3294-3300, 2004 | 38 | 2004 |
Ami-The chemist's amanuensis BJ Brooks, AL Thorn, M Smith, P Matthews, S Chen, B O'Steen, SE Adams, ... Journal of cheminformatics 3, 1-10, 2011 | 33 | 2011 |
Experimental data checker: better information for organic chemists SE Adams, JM Goodman, RJ Kidd, AD McNaught, P Murray-Rust, ... Organic & biomolecular chemistry 2 (21), 3067-3070, 2004 | 24 | 2004 |
Molecular similarity: advances in methods, applications and validations in virtual screening and QSAR A Bender, JL Jenkins, Q Li, SE Adams, EO Cannon, RC Glen Annual reports in computational chemistry 2, 141-168, 2006 | 20 | 2006 |
Implementing time travel for the web R Sanderson, H Shankar, S Ainsworth, F McCown Ph D, S Adams Code4Lib Journal, 1, 2011 | 17 | 2011 |
CrystalEye: automated aggregation, semantification and dissemination of the world's open crystallographic data N Day, J Downing, S Adams, NW England, P Murray-Rust Journal of Applied Crystallography 45 (2), 316-323, 2012 | 16 | 2012 |
Chempound-a Web 2.0-inspired repository for physical science data S Adams, P Murray-Rust | 13 | 2012 |
Perianal Hodgkin's lymphoma complicating Crohn's disease N Sivarajasingham, S Adams, M Smith, K Hosie International journal of colorectal disease 18, 174-176, 2003 | 12 | 2003 |
Applications of the InChI in cheminformatics with the CDK and Bioclipse O Spjuth, A Berg, S Adams, EL Willighagen Journal of Cheminformatics 5, 1-7, 2013 | 11 | 2013 |
The semantic architecture of the World-Wide Molecular Matrix (WWMM) P Murray-Rust, SE Adams, J Downing, JA Townsend, Y Zhang Journal of Cheminformatics 3 (1), 42, 2011 | 9 | 2011 |
Variability of nonpathogenic influenza virus H5N3 under immune pressure TA Timofeeva, IA Rudneva, GK Sadykova, NF Lomakina, AV Lyashko, ... Acta Virol 64 (4), 480-489, 2020 | 6 | 2020 |