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of 5
pro vyhledávání: '"Eloy Félix"'
Autor:
Maria P. Magariños, Anna Gaulton, Eloy Félix, Tevfik Kiziloren, Ricardo Arcila, Tudor I. Oprea, Andrew R. Leach
Publikováno v:
PeerJ, Vol 11, p e15153 (2023)
The patent literature is a potentially valuable source of bioactivity data. In this article we describe a process to prioritise 3.7 million life science relevant patents obtained from the SureChEMBL database (https://www.surechembl.org/), according t
Externí odkaz:
https://doaj.org/article/5dbd917e301f45c7a2da3d708bdd1b1a
Autor:
A. Patrícia Bento, Anne Hersey, Eloy Félix, Greg Landrum, Anna Gaulton, Francis Atkinson, Louisa J. Bellis, Marleen De Veij, Andrew R. Leach
Publikováno v:
Journal of Cheminformatics, Vol 12, Iss 1, Pp 1-16 (2020)
Abstract Background The ChEMBL database is one of a number of public databases that contain bioactivity data on small molecule compounds curated from diverse sources. Incoming compounds are typically not standardised according to consistent rules. In
Externí odkaz:
https://doaj.org/article/bbbf7ee22f154d9a97199854b9ea5039
Publikováno v:
Journal of Cheminformatics, Vol 11, Iss 1, Pp 1-3 (2019)
Abstract In response to Krstajic’s letter to the editor concerning our published paper, we here take the opportunity to reply, to re-iterate that no errors in our work were identified, to provide further details, and to re-emphasise the outputs of
Externí odkaz:
https://doaj.org/article/784f7afcbbbe42d2af678bf9df2f4c53
Autor:
Nicolas Bosc, Eloy Felix, Ricardo Arcila, David Mendez, Martin R. Saunders, Darren V. S. Green, Jason Ochoada, Anang A. Shelat, Eric J. Martin, Preeti Iyer, Ola Engkvist, Andreas Verras, James Duffy, Jeremy Burrows, J. Mark F. Gardner, Andrew R. Leach
Publikováno v:
Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-14 (2021)
Abstract Malaria is a disease affecting hundreds of millions of people across the world, mainly in developing countries and especially in sub-Saharan Africa. It is the cause of hundreds of thousands of deaths each year and there is an ever-present ne
Externí odkaz:
https://doaj.org/article/1d37eed4555b444eb014f23ae427ad95
Publikováno v:
Journal of Cheminformatics, Vol 11, Iss 1, Pp 1-16 (2019)
Abstract Structure–activity relationship modelling is frequently used in the early stage of drug discovery to assess the activity of a compound on one or several targets, and can also be used to assess the interaction of compounds with liability ta
Externí odkaz:
https://doaj.org/article/2adde0ba9c384473a5278ecd3caee010