论文信息 - 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”

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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[5] Andrew R. Leach,et al. Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery , 2019, Journal of Cheminformatics.

[6] Andreas Bender,et al. Discovering Highly Potent Molecules from an Initial Set of Inactives Using Iterative Screening , 2018, J. Chem. Inf. Model..

[7] Damjan Krstajic. Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery , 2019, Journal of Cheminformatics.