Zobrazeno 1 - 10
of 201
pro vyhledávání: '"Jeremy G. Frey"'
Publikováno v:
Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-15 (2024)
Abstract Purpose Wiswesser Line Notation (WLN) is a old line notation for encoding chemical compounds for storage and processing by computers. Whilst the notation itself has long since been surpassed by SMILES and InChI, distribution of WLN during it
Externí odkaz:
https://doaj.org/article/e15f3c3ac6e3491c93e2cfe07b80dd4f
Autor:
Christopher M A Brett, Jeremy G Frey, Robert Hinde, Yutaka Kuroda, Roberto Marquardt, Franco Pavese, Martin Quack, Juergen Stohner, Anders J Thor
The first IUPAC Manual of Symbols and Terminology for Physicochemical Quantities and Units was published in 1969 with the objective of'securing clarity and precision, and wider agreement in the use of symbols, by chemists in different countries, amon
Publikováno v:
Journal of Cheminformatics, Vol 14, Iss 1, Pp 1-10 (2022)
Abstract The related problems of chemical reaction optimization and reaction scope search concern the discovery of reaction pathways and conditions that provide the best percentage yield of a target product. The space of possible reaction pathways or
Externí odkaz:
https://doaj.org/article/10014ceffb114d269c1bbbd9e26efe84
Autor:
Ana P. V. Garcia, Luana A. Reis, Fernanda C. Nunes, Francis G. J. Longford, Jeremy G. Frey, Ana M. de Paula, Geovanni D. Cassali
Publikováno v:
Scientific Reports, Vol 11, Iss 1, Pp 1-13 (2021)
Abstract Precise diagnosis and prognosis are key in prevention and reduction of morbidity and mortality in all types of cancers. Here we show that changes in the collagen fibres in the main histological subtypes of canine mammary gland carcinomas are
Externí odkaz:
https://doaj.org/article/a3055f25c3424a65bf5e974fd393987f
Publikováno v:
Journal of Cheminformatics, Vol 11, Iss 1, Pp 1-23 (2019)
Abstract Scientific research is increasingly characterised by the volume of documents and data that it produces, from experimental plans and raw data to reports and papers. Researchers frequently struggle to manage and curate these materials, both in
Externí odkaz:
https://doaj.org/article/e40d1b3c1e6c402787f2db81c86610b3
Publikováno v:
Data Intelligence, Vol 2, Iss 1-2 (2021)
Externí odkaz:
https://doaj.org/article/f6cdf12c331c45f6b77d95a153193e12
Autor:
Mariam Pirashvili, Lee Steinberg, Francisco Belchi Guillamon, Mahesan Niranjan, Jeremy G. Frey, Jacek Brodzki
Publikováno v:
Journal of Cheminformatics, Vol 10, Iss 1, Pp 1-14 (2018)
Abstract Topological data analysis is a family of recent mathematical techniques seeking to understand the ‘shape’ of data, and has been used to understand the structure of the descriptor space produced from a standard chemical informatics softwa
Externí odkaz:
https://doaj.org/article/9ea3ccb4f5b34798a2a049358beef50d
Autor:
Samantha Kanza, Cerys Willoughby, Nicola J. Knight, Colin L. Bird, Jeremy G. Frey, Simon J. Coles
Physical science depends on historical records as well as new ideas, results, and opportunities. In this increasingly digital era, in which much of modern day life is technology-driven, a significant amount of scientific data remains in forms that ar
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5d4489ed3c88d6477b83531289764627
https://eprints.soton.ac.uk/476747/
https://eprints.soton.ac.uk/476747/
Autor:
Egleidson F. A. Gomes, Eduardo Paulino Junior, Mário F. R. de Lima, Luana A. Reis, Giovanna Paranhos, Marcelo Mamede, Francis G. J. Longford, Jeremy G. Frey, Ana Maria de Paula
Publikováno v:
Journal of Biophotonics.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b91377edec72bc5c92d34030b09a7b7b
https://doi.org/10.1002/jbio.202200382
https://doi.org/10.1002/jbio.202200382
This article discusses the ways of linking physical objects to digital information relevant to chemical entities, specifically those that can be described by the use of the IUPAC International Chemical Identifier (InChI). It makes recommendations on
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0a7e299b8ca3122df73ffef8b5c9843a
https://eprints.soton.ac.uk/474620/
https://eprints.soton.ac.uk/474620/