Multimodal out-of-distribution individual uncertainty quantification enhances binding affinity prediction for polypharmacology

Nature — Machine LearningThursday, December 18, 2025 at 12:00:00 AM
  • A recent study published in Nature — Machine Learning highlights the advancements in multimodal out-of-distribution individual uncertainty quantification, which significantly enhances the prediction of binding affinity in polypharmacology. This approach integrates various data modalities to improve the accuracy of drug interactions and efficacy assessments.
  • The development is crucial as it allows researchers and pharmaceutical companies to better predict how different drugs interact within complex biological systems, potentially leading to more effective polypharmacological treatments and personalized medicine strategies.
  • This innovation reflects a broader trend in machine learning applications within genomics and drug discovery, where the integration of diverse data types is becoming essential for understanding complex biological phenomena, including drug resistance mechanisms and the prediction of adverse drug reactions.
— via World Pulse Now AI Editorial System

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