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  • title: Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language
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            Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language
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            Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language

            Jul 24, 2023

            Speakers

            PS

            Philipp Seidl

            Speaker · 0 followers

            AV

            Andreu Vall

            Speaker · 0 followers

            SH

            Sepp Hochreiter

            Speaker · 7 followers

            About

            Activity and property prediction models are the central workhorses in drug discovery and materials sciences, but currently, they have to be trained or fine-tuned for new tasks. Without training or fine-tuning, scientific language models could be used for such low-data tasks through their announced zero- and few-shot capabilities. However, their predictive quality at activity prediction is lacking. In this work, we envision a novel type of activity prediction model that is able to adapt to new pr…

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            ICML 2023

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