Regarding the featurization of linkers, we tried three commonly used approaches: Mordred 33 , RDkit , and Extended-Connectivity Fingerprints (ECFPs) . Mordred is a freely available Python-based molecular descriptor calculator that provides access to 1613 pre-defined 2D molecular descriptors. It is widely used in cheminformatics research and has proven to have good performance. RDkit is an open-source cheminformatics software toolkit that also allows for the generation of over 200 molecular descriptors based on various molecular properties.