Article

SynPROTAC: synthesizable PROTACs design through synthesis constrained generative model and reinforcement learning

2025-12-12

Abstract excerpt

Protein hydrolysis targeting chimeric (PROTAC) has emerged as a promising technology in degrading disease-related proteins for drug design. Recent deep generative models can accelerate PROTAC design, but the generated molecules are often difficult to synthesize. Here we develop SynPROTAC model, which employs Graphormer encoded warhead or E3 ligand as input, and autoregressively samples reaction templates and build...

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Literature Corpus work: 6112406a-47eb-5c9a-ba1d-2478c8b4e807
DOI: 10.64898/2025.12.10.693572

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