Popular repositories Loading

1. Oligomer-Finder Oligomer-Finder Public

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

   Jupyter Notebook 6 3

2. Fentanyl-Hunter Fentanyl-Hunter Public

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

   Jupyter Notebook 6 1

3. PAH-Finder PAH-Finder Public

   Forked from Barnett-Cheung/PAH-Finder

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

   R 4

4. HExpMetDB HExpMetDB Public

   1

5. AIPD-OPFRs AIPD-OPFRs Public

   Python 1

6. Reactive-Compound-Transformation-Profiler-RTP- Reactive-Compound-Transformation-Profiler-RTP- Public

   RTP can automatically analyse pre-annotated LC-MS datasets and uncover probable transformation products for reactive compounds