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Samuel E. Adams
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Journal Articles
- 2013
- [j12]Johannes Kirchmair, Andrew Howlett, Julio E. Peironcely, Daniel S. Murrell, Mark J. Williamson, Samuel E. Adams, Thomas Hankemeier, Leo van Buren, Guus Duchateau, Werner Klaffke, Robert C. Glen:
Quantifying the shifts in physicochemical property space introduced by the metabolism of small organic molecules. J. Cheminformatics 5(S-1): 12 (2013) - [j11]Ola Spjuth
, Arvid Berg, Samuel E. Adams
, Egon L. Willighagen
:
Applications of the InChI in cheminformatics with the CDK and Bioclipse. J. Cheminformatics 5: 14 (2013) - [j10]Johannes Kirchmair
, Andrew Howlett, Julio E. Peironcely, Daniel S. Murrell, Mark J. Williamson, Samuel E. Adams
, Thomas Hankemeier
, Leo van Buren, Guus Duchateau, Werner Klaffke, Robert C. Glen:
How Do Metabolites Differ from Their Parent Molecules and How Are They Excreted? J. Chem. Inf. Model. 53(2): 354-367 (2013) - 2012
- [j9]Sam E. Adams, Peter Murray-Rust:
Chempound - a Web 2.0-inspired repository for physical science data. J. Digit. Inf. 13(1) (2012) - 2011
- [j8]Noel M. O'Boyle
, Rajarshi Guha, Egon L. Willighagen
, Sam E. Adams
, Jonathan Alvarsson
, Jean-Claude Bradley
, Igor V. Filippov, Robert M. Hanson, Marcus D. Hanwell
, Geoffrey R. Hutchison
, Craig A. James, Nina Jeliazkova
, Andrew S. I. D. Lang, Karol M. Langner
, David C. Lonie, Daniel M. Lowe, Jérôme Pansanel, Dmitry Pavlov, Ola Spjuth
, Christoph Steinbeck
, Adam L. Tenderholt, Kevin J. Theisen, Peter Murray-Rust
:
Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on. J. Cheminformatics 3: 37 (2011) - [j7]Sam E. Adams
, Pablo de Castro
, Pablo Echenique
, Jorge Estrada
, Marcus D. Hanwell
, Peter Murray-Rust
, Paul Sherwood
, Jens Thomas
, Joe Townsend:
The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age. J. Cheminformatics 3: 38 (2011) - [j6]David M. Jessop, Sam E. Adams
, Peter Murray-Rust
:
Mining chemical information from open patents. J. Cheminformatics 3: 40 (2011) - [j5]David M. Jessop, Sam E. Adams
, Egon L. Willighagen
, Lezan Hawizy
, Peter Murray-Rust
:
OSCAR4: a flexible architecture for chemical text-mining. J. Cheminformatics 3: 41 (2011) - [j4]Peter Murray-Rust
, Sam E. Adams
, Jim Downing, Joe Townsend, Yong Zhang:
The semantic architecture of the World-Wide Molecular Matrix (WWMM). J. Cheminformatics 3: 42 (2011) - [j3]Peter Murray-Rust
, Joe Townsend, Sam E. Adams
, Weerapong Phadungsukanan, Jens Thomas
:
The semantics of Chemical Markup Language (CML): dictionaries and conventions. J. Cheminformatics 3: 43 (2011) - [j2]Brian Brooks, Adam L. Thorn, Matthew Smith
, Peter Matthews
, Shaoming Chen, Ben O'Steen
, Sam E. Adams
, Joe Townsend, Peter Murray-Rust
:
Ami - The chemist's amanuensis. J. Cheminformatics 3: 45 (2011) - 2010
- [j1]Lars Carlsson, Ola Spjuth
, Samuel E. Adams
, Robert C. Glen, Scott Boyer:
Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse. BMC Bioinform. 11: 362 (2010)
Coauthor Index
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