Author

Qiyang Qian

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Jul 2026

AutoMPP: Automated Task‐Specific Multifingerprint Fusion for Property Prediction of Small Molecules and Macrocycles

Automated molecular property prediction (AutoMPP), an automated machine learning‐based pipeline that automates model selection and systematically evaluates fingerprint combinations across 75 molecular property prediction tasks, is established as a robust and adaptable framework for molecular property prediction.

Qiyang Qian, Shihang Wang, Ruifeng Li et al. · ChemMedChem · 0 citations