Blog Post: Reproducibility Pilot in the Journal of Cheminformatics

I’ve been working on improving reproducibility in the field of cheminformatics for some time now. For example, I’ve written posts about making data from DrugBank and ChEMBL more actionable. Over the last year, I’ve been preparing a concept with the editors of the Journal of Cheminformatics on how to include an assessment of reproducibility to reviews of manuscripts submitted to the journal. This has resulted in an editorial Improving reproducibility and reusability in the Journal of Cheminformatics as well as a call for papers. In this post, I want to summarize the first generation review criteria we developed, give an example of it applied in practice.