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

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

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 our study. Moreover, we highlight that all of the da...

Full description

Bibliographic Details
Main Authors: Nicolas Bosc, Francis Atkinson, Eloy Félix, Anna Gaulton, Anne Hersey, Andrew R. Leach
Format: Article
Language:English
Published: BMC 2019-11-01
Series:Journal of Cheminformatics
Online Access:http://link.springer.com/article/10.1186/s13321-019-0388-x
id doaj-784f7afcbbbe42d2af678bf9df2f4c53
record_format Article
spelling doaj-784f7afcbbbe42d2af678bf9df2f4c532020-11-25T04:04:37ZengBMCJournal of Cheminformatics1758-29462019-11-011111310.1186/s13321-019-0388-xReply to “Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery”Nicolas Bosc0Francis Atkinson1Eloy Félix2Anna Gaulton3Anne Hersey4Andrew R. Leach5Chemogenomics Team, European Bioinformatics Institute (EMBL-EBI)Chemogenomics Team, European Bioinformatics Institute (EMBL-EBI)Chemogenomics Team, European Bioinformatics Institute (EMBL-EBI)Chemogenomics Team, European Bioinformatics Institute (EMBL-EBI)Chemogenomics Team, European Bioinformatics Institute (EMBL-EBI)Chemogenomics Team, European Bioinformatics Institute (EMBL-EBI)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 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.http://link.springer.com/article/10.1186/s13321-019-0388-x
collection DOAJ
language English
format Article
sources DOAJ
author Nicolas Bosc
Francis Atkinson
Eloy Félix
Anna Gaulton
Anne Hersey
Andrew R. Leach
spellingShingle Nicolas Bosc
Francis Atkinson
Eloy Félix
Anna Gaulton
Anne Hersey
Andrew R. Leach
Reply to “Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery”
Journal of Cheminformatics
author_facet Nicolas Bosc
Francis Atkinson
Eloy Félix
Anna Gaulton
Anne Hersey
Andrew R. Leach
author_sort Nicolas Bosc
title 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_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_sort reply to “missed opportunities in large scale comparison of qsar and conformal prediction methods and their applications in drug discovery”
publisher BMC
series Journal of Cheminformatics
issn 1758-2946
publishDate 2019-11-01
description 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 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.
url http://link.springer.com/article/10.1186/s13321-019-0388-x
work_keys_str_mv AT nicolasbosc replytomissedopportunitiesinlargescalecomparisonofqsarandconformalpredictionmethodsandtheirapplicationsindrugdiscovery
AT francisatkinson replytomissedopportunitiesinlargescalecomparisonofqsarandconformalpredictionmethodsandtheirapplicationsindrugdiscovery
AT eloyfelix replytomissedopportunitiesinlargescalecomparisonofqsarandconformalpredictionmethodsandtheirapplicationsindrugdiscovery
AT annagaulton replytomissedopportunitiesinlargescalecomparisonofqsarandconformalpredictionmethodsandtheirapplicationsindrugdiscovery
AT annehersey replytomissedopportunitiesinlargescalecomparisonofqsarandconformalpredictionmethodsandtheirapplicationsindrugdiscovery
AT andrewrleach replytomissedopportunitiesinlargescalecomparisonofqsarandconformalpredictionmethodsandtheirapplicationsindrugdiscovery
_version_ 1724435939819782144

Similar Items