MolJam: A Multidimensional Framework for Assessing Molecular Dataset Quality and Its Impact on Machine Learning
Peng Wang, Zhaoqi Shi, Xufan Gao, Ruhong Zhou
MolJam assesses molecular dataset quality across five dimensions and shows that improving quality metrics does not always enhance machine learning performance due to trade-offs with data quantity.
bioRxiv · Aug 25, 2026 · PreprintBioinformatics