TrustworthyMS reports new best results on two metabolic stability tasks, with MCC 0.622 on HLM classification and RMSE 0.091 on half-life regression, while adding uncertainty estimates.
Chemometrics and Intelligent Laboratory Systems257, 105292 (2025) 16 Authors Suppressed Due to Excessive Length
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Uncertainty-Aware Metabolic Stability Prediction with Dual-View Contrastive Learning
TrustworthyMS reports new best results on two metabolic stability tasks, with MCC 0.622 on HLM classification and RMSE 0.091 on half-life regression, while adding uncertainty estimates.