ribesstefano/PROTAC-Splitter
PROTAC-Splitter is a machine learning framework designed for automated annotation of PROTAC substructures.
This tool helps medicinal chemists and computational chemists automatically break down complex PROTAC molecules into their individual components: the E3 ligase ligand, the warhead, and the linker. You input a PROTAC molecule, typically as a SMILES string, and it outputs the distinct substructures, enabling easier analysis and design of new PROTACs.
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Use this if you need to quickly identify and separate the functional parts of PROTAC molecules for research or drug discovery.
Not ideal if you are working with molecule types other than PROTACs or require manual, precise control over the substructure identification process.
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Jul 13, 2025
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