Zobrazeno 1 - 10
of 199
pro vyhledávání: '"Jeremy G Frey"'
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
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
Publikováno v:
PLoS ONE, Vol 8, Iss 7, p e67460 (2013)
The electronic laboratory notebook (ELN) has the potential to replace the paper notebook with a marked-up digital record that can be searched and shared. However, it is a challenge to achieve these benefits without losing the usability and flexibilit
Externí odkaz:
https://doaj.org/article/5e40b57dd9344474b3c67133f50f8cc3
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/
The growth of machine learning as a tool for research in computational chemistry is well documented. For many years, this growth was heavily driven by the paradigms of supervised and unsupervised learning. Recently, however, there has been increased
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4756dfb92d96e5a8ed4129a9f0198c0e
https://eprints.soton.ac.uk/473578/
https://eprints.soton.ac.uk/473578/
In November 2020 the Royal Society of Chemistry Chemical Information and Computer Applications interest group (RSC CICAG) ran a five-day meeting entitled Open Chemical Science (https://www.rsc.org/events/detail/42090/open-chemical-science). This even
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::020480d8e2472ac6e9a8562eb76abcc3
https://eprints.soton.ac.uk/471424/
https://eprints.soton.ac.uk/471424/
Autor:
Steve Brewer, Phil Godsiff, Roger Maull, Louise Manning, Luc Bidaut, Andrew McMillan, Hannah Blackmore, Jeremy G. Frey, Simon Pearson, Gerard Parr, Andrea Zisman, Sarah Cameron
Publikováno v:
Nature Food. 2:543-545
The full potential for a digitally transformed food system has not yet been realized — or indeed imagined. Data flows across, and within, vast but largely decentralized and tiered supply chain networks. Data define internal inputs, bi-directional f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ea762f7c8cdcf8c5e9c4c7a0fb5b2173
https://doi.org/10.1038/s43016-021-00346-1
https://doi.org/10.1038/s43016-021-00346-1
Publikováno v:
Data Intelligence, 2(1-2), 131-138. The MIT Press
The Chemistry Implementation Network (ChIN) is focused on supporting the FAIR Data needs of the research community regarding chemical related data. An Implementation Network is a consortium drawn from a community, in this case the chemistry disciplin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0179b767345253e36686f0ffeb51eb9c
https://doi.org/10.1162/dint_a_00035
https://doi.org/10.1162/dint_a_00035