Zobrazeno 1 - 10
of 53
pro vyhledávání: '"Antonio, de la Vega de León"'
Publikováno v:
Journal of Cheminformatics, Vol 14, Iss 1, Pp 1-27 (2022)
Abstract Recently, imputation techniques have been adapted to predict activity values among sparse bioactivity matrices, showing improvements in predictive performance over traditional QSAR models. These models are able to use experimental activity v
Externí odkaz:
https://doaj.org/article/9c394aa713b1463b9f35b8b720813f4f
Autor:
Emma J. Kenyon, Nerissa K. Kirkwood, Siân R. Kitcher, Richard J. Goodyear, Marco Derudas, Daire M. Cantillon, Sarah Baxendale, Antonio de la Vega de León, Virginia N. Mahieu, Richard T. Osgood, Charlotte Donald Wilson, James C. Bull, Simon J. Waddell, Tanya T. Whitfield, Simon E. Ward, Corné J. Kros, Guy P. Richardson
Publikováno v:
JCI Insight, Vol 6, Iss 7 (2021)
To identify small molecules that shield mammalian sensory hair cells from the ototoxic side effects of aminoglycoside antibiotics, 10,240 compounds were initially screened in zebrafish larvae, selecting for those that protected lateral-line hair cell
Externí odkaz:
https://doaj.org/article/581c6dc4787e4df088decf8ef38ca7aa
Publikováno v:
Journal of Cheminformatics, Vol 10, Iss 1, Pp 1-12 (2018)
Abstract There has been a growing interest in multitask prediction in chemoinformatics, helped by the increasing use of deep neural networks in this field. This technique is applied to multitarget data sets, where compounds have been tested against d
Externí odkaz:
https://doaj.org/article/fed18e8d4d6b4b2fa56f2d13e718a76a
Autor:
Elvira Diamantopoulou, Sarah Baxendale, Antonio de la Vega de León, Anzar Asad, Celia J Holdsworth, Leila Abbas, Valerie J Gillet, Giselle R Wiggin, Tanya T Whitfield
Publikováno v:
eLife, Vol 8 (2019)
Adgrg6 (Gpr126) is an adhesion class G protein-coupled receptor with a conserved role in myelination of the peripheral nervous system. In the zebrafish, mutation of adgrg6 also results in defects in the inner ear: otic tissue fails to down-regulate v
Externí odkaz:
https://doaj.org/article/700193cc045e4c5a9b04838d6cdce800
Autor:
Jennifer C. Louth, Imane Ghafir El Idrissi, James D Grayson, Valerie J. Gillet, Sasha Stimpson, Emma Mead, Antonio de la Vega de León, Margarita Segovia Roldan, Gary Sharman, Claire J. Garwood, Jim A. Thomas, Matthew P. Baumgartner, Amélia P. Rauter, Beining Chen, Samuel J Dawes, Joanna Wolak, Charlotte Dunbar, Ke Ning, Anastasia Zhuravleva, Cleide dos Santos Souza, Benjamin M. Partridge, Nicola Antonio Colabufo, David A. Evans
Publikováno v:
Chemical Science. 12:3768-3785
Amyloid β oligomers (Aβo) are the main toxic species in Alzheimer's disease, which have been targeted for single drug treatment with very little success. In this work we report a new approach for identifying functional Aβo binding compounds. A tai
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::04daccd30e1189b255839170ec5be975
https://doi.org/10.1039/d0sc04769d
https://doi.org/10.1039/d0sc04769d
Autor:
Mirko Torrisi, Antonio de la Vega de León, Guillermo Climent, Remco Loos, Alejandro Panjkovich
Machine Learning techniques have been widely adopted to predict drug-target interactions, a central area of research in early drug discovery. These techniques have shown promising results on various benchmarks although they tend to suffer from poor g
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ea116c39068e9562e4edbda90054aa93
https://doi.org/10.1101/2022.04.20.488898
https://doi.org/10.1101/2022.04.20.488898
Publikováno v:
F1000Research, Vol 5 (2016)
Networks, in which nodes represent compounds and edges pairwise similarity relationships, are used as coordinate-free representations of chemical space. So-called chemical space networks (CSNs) provide intuitive access to structural relationships wit
Externí odkaz:
https://doaj.org/article/c40e2124416c427e825a5be13bab45a2
Publikováno v:
F1000Research, Vol 5 (2016)
Networks, in which nodes represent compounds and edges pairwise similarity relationships, are used as coordinate-free representations of chemical space. So-called chemical space networks (CSNs) provide intuitive access to structural relationships wit
Externí odkaz:
https://doaj.org/article/d88028f2d16a49dfa7eaef439bcea48a
Publikováno v:
F1000Research, Vol 3 (2014)
We present a follow up contribution to further complement a previous commentary on the activity cliff concept and recent advances in activity cliff research. Activity cliffs have originally been defined as pairs of structurally similar compounds that
Externí odkaz:
https://doaj.org/article/a2582ad6e91248e98bc7436fed99ad08
Publikováno v:
F1000Research, Vol 3 (2014)
Matched molecular pairs (MMPs) are widely used in medicinal chemistry to study changes in compound properties including biological activity, which are associated with well-defined structural modifications. Herein we describe up-to-date versions of th
Externí odkaz:
https://doaj.org/article/5bdc328a0ccf4532832cb4bf98e9c8c6