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Drug Discovery and Development
Purpose: To explore the use of AI in pharmaceutical research and drug development... View more
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Explainable AI in Drug Discovery
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Explainable AI in Drug Discovery
We’re working on improving the explainability of our AI models in drug discovery. Any recommendations on balancing model performance with interpretability?
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2 Replies
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That’s a critical area, Arthur. We’ve been exploring SHAP (SHapley Additive exPlanations) values to interpret our models. It’s been particularly useful in understanding feature importance in molecular property prediction.
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This is an important area from a regulatory standpoint. We’re considering guidelines that would require a certain level of explainability for AI models used in drug discovery. What metrics do you think would be appropriate for measuring explainability?
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