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PAH-Finder
PAH-Finder PublicForked from Barnett-Cheung/PAH-Finder
A pattern recognition workflow for identification of polycyclic aromatic hydrocarbon and their derivatives in untargeted analysis
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Fentanyl-Hunter
Fentanyl-Hunter PublicMachine learning and molecular network-assisted screening reveals unknown compounds in the fentanyl family.
Jupyter Notebook 3
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Oligomer-Finder
Oligomer-Finder PublicOligomer-Finder is a program for seed molecule-guided oligomers screened and annotation for LC-MS data.
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Reactive-Compound-Transformation-Profiler-RTP-
Reactive-Compound-Transformation-Profiler-RTP- PublicRTP can automatically analyse pre-annotated LC-MS datasets and uncover probable transformation products for reactive compounds
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