2 papers
cs.CL2026
Can LLMs Reliably Annotate Bioassay Metadata to Improve Data Readiness?
Laura van Weesep, Riccardo Tedoldi, Jens Sjölund +6
The emergence of foundation models for molecular property prediction requires a high degree of AI data readiness, including reliable metadata annotation. However, both public repos…
cs.LG2025
Temporal Distribution Shift in Real-World Pharmaceutical Data: Implications for Uncertainty Quantification in QSAR Models
Hannah Rosa Friesacher, Emma Svensson, Susanne Winiwarter +3
The estimation of uncertainties associated with predictions from quantitative structure-activity relationship (QSAR) models can accelerate the drug discovery process by identifying…