Integration of diverse bioactivity data into the Chemical Checker compound universe
Arnau Comajuncosa-Creus, Martino Bertoni, Miquel Duran‐Frigola, Adrià Fernández‐Torras, Oriol Guitart-Pla, Nils Kurzawa, Martina Locatelli, Yasmmin Martins, Elena Pareja-Lorente, Gema Rojas-Granado, Nicolas Soler, Eva Viesi, Patrick Aloy
The paper introduces a protocol to integrate diverse bioactivity data into the Chemical Checker compound universe, enabling the generation of novel bioactivity signatures for small molecules.
Nature Protocols · May 21, 2025Peer-reviewedBioinformatics