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

J Cheminform. 2019 Nov 6;11(1):64. doi: 10.1186/s13321-019-0388-x.

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.

Publication types

  • Letter