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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Bibliographic Details
Published in:Journal of cheminformatics 2019-11, Vol.11 (1), p.64-3, Article 64
Main Authors: Bosc, Nicolas, Atkinson, Francis, Félix, Eloy, Gaulton, Anna, Hersey, Anne, Leach, Andrew R.
Format: Article
Language:English
Subjects:
Cheminformatics
Chemistry
Chemistry and Materials Science
Computational Biology/Bioinformatics
Computer Applications in Chemistry
Documentation and Information in Chemistry
Drug discovery
Letter to the Editor
Pharmacological research
Structure-activity relationships
Structure-activity relationships (Biochemistry)
Theoretical and Computational Chemistry
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Summary: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.
ISSN:1758-2946
1758-2946
DOI:10.1186/s13321-019-0388-x