Introduction

This repository contains the code that was used for our publication [1].

The starting point of this study was a previous study from the team [2], from which the fragments input molecular file was downloaded (SI).

We hope this work can be useful to the community and are looking forward to feedback to improve it.

[1] Gally, J.-M., Pahl, A., Czodrowski, P. & Waldmann, H. Pseudonatural Products Occur Frequently in Biologically Relevant Compounds. J Chem Inf Model 61, 5458–5468 (2021).

[2] Over, B. et al. Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem 5, 21–28 (2013).