Zobrazeno 1 - 10
of 262
pro vyhledávání: '"Murray-Rust Peter"'
Autor:
Murray-Rust Peter, Rzepa Henry S
Publikováno v:
Journal of Cheminformatics, Vol 4, Iss 1, p 14 (2012)
Abstract The articles in this special issue arise from a workshop and symposium held in January 2012 (Semantic Physical Science’). We invited people who shared our vision for the potential of the web to support chemical and related subjects. Other
Externí odkaz:
https://doaj.org/article/ec8674cb5b134ada8b823b9c0becd1c9
Publikováno v:
Journal of Cheminformatics, Vol 4, Iss 1, p 15 (2012)
Abstract This paper introduces a subdomain chemistry format for storing computational chemistry data called CompChem. It has been developed based on the design, concepts and methodologies of Chemical Markup Language (CML) by adding computational chem
Externí odkaz:
https://doaj.org/article/772cc53cf8db4f21b8cc93d5abee69b0
Publikováno v:
Journal of Cheminformatics, Vol 3, Iss 1, p 43 (2011)
Abstract The semantic architecture of CML consists of conventions, dictionaries and units. The conventions conform to a top-level specification and each convention can constrain compliant documents through machine-processing (validation). Dictionarie
Externí odkaz:
https://doaj.org/article/d3c4b7e0602f4e26a15c696bb1ef9273
Autor:
Brooks Brian J, Thorn Adam L, Smith Matthew, Matthews Peter, Chen Shaoming, O'Steen Ben, Adams Sam E, Townsend Joe A, Murray-Rust Peter
Publikováno v:
Journal of Cheminformatics, Vol 3, Iss 1, p 45 (2011)
Abstract The Ami project was a six month Rapid Innovation project sponsored by JISC to explore the Virtual Research Environment space. The project brainstormed with chemists and decided to investigate ways to facilitate monitoring and collection of e
Externí odkaz:
https://doaj.org/article/d9af17013b444b3a90a330d63feb7a07
Publikováno v:
Journal of Cheminformatics, Vol 3, Iss 1, p 42 (2011)
Abstract The World-Wide Molecular Matrix (WWMM) is a ten year project to create a peer-to-peer (P2P) system for the publication and collection of chemical objects, including over 250, 000 molecules. It has now been instantiated in a number of reposit
Externí odkaz:
https://doaj.org/article/f66f73c32e1b42d2bfcc9dc6ea08fb0a
Autor:
Adams Sam, de Castro Pablo, Echenique Pablo, Estrada Jorge, Hanwell Marcus D, Murray-Rust Peter, Sherwood Paul, Thomas Jens, Townsend Joe
Publikováno v:
Journal of Cheminformatics, Vol 3, Iss 1, p 38 (2011)
Abstract Computational Quantum Chemistry has developed into a powerful, efficient, reliable and increasingly routine tool for exploring the structure and properties of small to medium sized molecules. Many thousands of calculations are performed ever
Externí odkaz:
https://doaj.org/article/0a1e0c38161d42fd9490befc2e0c03f4
Autor:
Murray-Rust Peter, Rzepa Henry S
Publikováno v:
Journal of Cheminformatics, Vol 3, Iss 1, p 44 (2011)
Abstract A retrospective view of the design and evolution of Chemical Markup Language (CML) is presented by its original authors.
Externí odkaz:
https://doaj.org/article/1ce839d4e16f4ef395c622d80153d690
Autor:
Jones Richard, MacGillivray Mark, Murray-Rust Peter, Pitman Jim, Sefton Peter, O'Steen Ben, Waites William
Publikováno v:
Journal of Cheminformatics, Vol 3, Iss 1, p 47 (2011)
Abstract The concept of Open Bibliography in science, technology and medicine (STM) is introduced as a combination of Open Source tools, Open specifications and Open bibliographic data. An Openly searchable and navigable network of bibliographic info
Externí odkaz:
https://doaj.org/article/616925712973412d8c8678b40269dfe5
Publikováno v:
Journal of Cheminformatics, Vol 3, Iss 1, p 41 (2011)
Abstract The Open-Source Chemistry Analysis Routines (OSCAR) software, a toolkit for the recognition of named entities and data in chemistry publications, has been developed since 2002. Recent work has resulted in the separation of the core OSCAR fun
Externí odkaz:
https://doaj.org/article/e6cc79f7c4094bd195125539a02d23bf
Autor:
Townsend Joe A, Murray-Rust Peter
Publikováno v:
Journal of Cheminformatics, Vol 3, Iss 1, p 39 (2011)
Abstract CMLLite is a collection of definitions and processes which provide strong and flexible validation for a document in Chemical Markup Language (CML). It consists of an updated CML schema (schema3), conventions specifying rules in both human an
Externí odkaz:
https://doaj.org/article/80fae15bb2944e548c7c4006d6dea575