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  • title: Contrasting Drugs from Decoys
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            Contrasting Drugs from Decoys
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            Contrasting Drugs from Decoys

            Dec 2, 2022

            Speakers

            SS

            Sam Sledzieski

            Speaker · 0 followers

            RS

            Rohit Singh

            Speaker · 0 followers

            LC

            Lenore Cowen

            Speaker · 1 follower

            About

            Protein language models (PLMs) have recently been proposed to advance drug-target interaction (DTI) prediction, and have shown state-of-the-art performance on several standard benchmarks. However, a remaining challenge for all DTI prediction models (including PLM-based ones) is distinguishing true drugs from highly-similar decoys. Leveraging techniques from self-supervised contrastive learning, we introduce a second-generation PLM-based DTI model trained on triplets of proteins, drugs, and deco…

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            NeurIPS 2022

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