Reply to “Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery”

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 our study. Moreover, we highlight that all of the data are fr...

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Detalles Bibliográficos
Autores principales: Bosc, Nicolas, Atkinson, Francis, Félix, Eloy, Gaulton, Anna, Hersey, Anne, Leach, Andrew R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2019
Materias:
Letter to the Editor
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6831531/
https://www.ncbi.nlm.nih.gov/pubmed/33430932
http://dx.doi.org/10.1186/s13321-019-0388-x
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author Bosc, Nicolas
Atkinson, Francis
Félix, Eloy
Gaulton, Anna
Hersey, Anne
Leach, Andrew R.
author_facet Bosc, Nicolas
Atkinson, Francis
Félix, Eloy
Gaulton, Anna
Hersey, Anne
Leach, Andrew R.
author_sort Bosc, Nicolas
collection PubMed
description 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 our study. Moreover, we highlight that all of the data are freely available for the wider scientific community (including the aforementioned correspondent) to undertake follow-on studies and comparisons.
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spelling pubmed-68315312019-11-12 Reply to “Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery” Bosc, Nicolas Atkinson, Francis Félix, Eloy Gaulton, Anna Hersey, Anne Leach, Andrew R. J Cheminform Letter to the Editor 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 our study. Moreover, we highlight that all of the data are freely available for the wider scientific community (including the aforementioned correspondent) to undertake follow-on studies and comparisons. Springer International Publishing 2019-11-06 /pmc/articles/PMC6831531/ /pubmed/33430932 http://dx.doi.org/10.1186/s13321-019-0388-x Text en © The Author(s) 2019 Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated.
spellingShingle Letter to the Editor
Bosc, Nicolas
Atkinson, Francis
Félix, Eloy
Gaulton, Anna
Hersey, Anne
Leach, Andrew R.
Reply to “Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery”
title Reply to “Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery”
title_full Reply to “Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery”
title_fullStr Reply to “Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery”
title_full_unstemmed Reply to “Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery”
title_short Reply to “Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery”
title_sort reply to “missed opportunities in large scale comparison of qsar and conformal prediction methods and their applications in drug discovery”
topic Letter to the Editor
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6831531/
https://www.ncbi.nlm.nih.gov/pubmed/33430932
http://dx.doi.org/10.1186/s13321-019-0388-x
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