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Towards DNA-Encoded Library Generation with GFlowNets
April 17, 2024, 4:41 a.m. | Micha{\l} Koziarski, Mohammed Abukalam, Vedant Shah, Louis Vaillancourt, Doris Alexandra Schuetz, Moksh Jain, Almer van der Sloot, Mathieu Bourgey, An
cs.LG updates on arXiv.org arxiv.org
Abstract: DNA-encoded libraries (DELs) are a powerful approach for rapidly screening large numbers of diverse compounds. One of the key challenges in using DELs is library design, which involves choosing the building blocks that will be combinatorially combined to produce the final library. In this paper we consider the task of protein-protein interaction (PPI) biased DEL design. To this end, we evaluate several machine learning algorithms on the PPI modulation task and use them as a …
abstract arxiv building challenges cs.lg design diverse dna key libraries library numbers paper q-bio.qm screening the key type will
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