De novo PROTAC design using graph-based deep generative models

Published in AI4Science, 2022

Recommended citation: Nori, Divya et al. (2022) "De novo PROTAC design using graph-based deep generative models." NeurIPS 2022 AI4Science Workshop. link

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PROteolysis TArgeting Chimeras (PROTACs) are an emerging therapeutic modality for degrading a protein of interest (POI) by marking it for degradation by the proteasome. Recent developments in artificial intelligence (AI) suggest that deep generative models can assist with the de novo design of molecules with desired properties, and their application to PROTAC design remains largely unexplored.

Recommended citation: Nori, Divya et al. (2022) “De novo PROTAC design using graph-based deep generative models.” NeurIPS 2022 AI4Science Workshop.