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

Nicolas BoscFrancis AtkinsonEloy FélixAnna GaultonAnne HerseyAndrew R Leach
Published in: Journal of cheminformatics (2019)
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.
Keyphrases
  • drug discovery
  • healthcare
  • mental health
  • molecular dynamics
  • patient safety
  • emergency department
  • systematic review
  • adverse drug
  • meta analyses