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Machine learning and molecular network-assisted screening reveals unknown compounds in the fentanyl family.

Jupyter Notebook 6 1 Updated Jun 17, 2025

A pattern recognition workflow for identification of polycyclic aromatic hydrocarbon and their derivatives in untargeted analysis

R 5 Updated Jul 4, 2024

Oligomer-Finder is a program for seed molecule-guided oligomers screened and annotation for LC-MS data.

Jupyter Notebook 6 3 Updated Jun 17, 2025