PubChem
A project for interactions with PubChem
PubChem/NORMAN-SLE Integration
- Transformations Documentation
- Deposition (internal use only)
- Annotation Efforts (internal use only)
PubChem/MassBankEU Integration
PubChemLite
- Download the latest PubChemLite at DOI:10.5281/zenodo.5995885 (updating monthly)
Major PubChemLite Versions:
| Version | Description | DOI/URL |
|---|---|---|
| Latest | PCL-Exposomics (latest) | DOI:10.5281/zenodo.5995885 |
| 01/01/2021 | PCL-Exposomics | DOI:10.5281/zenodo.4432124 |
| 01/01/2021 | PCL-Exposomics + CCS | DOI:10.5281/zenodo.4456208 |
| 31/10/2020 | PCL-Exposomics | DOI:10.5281/zenodo.4183801 |
| 14/01/2020 | PCL-tier0&tier1 | DOI:10.5281/zenodo.3611238 |
Currently PubChemLite is building weekly and committed monthly to the DOI redirecting to the "latest" version. Archives of other PubChemLite versions are visible within these Zenodo records.
PubChemLite Build System
The PubChemLite build and deposition system has been migrated to a separate repository.
- PubChemLite Build System: https://gitlab.lcsb.uni.lu/eci/pclbuild
- PubChemLite Input files: https://gitlab.lcsb.uni.lu/eci/pubchemlite-input
Code/files located in this pubchemlite folder are related to the publication DOI:10.1186/s13321-021-00489-0 and other efforts.
License
Content in this repository is shared under these license conditions:
- Code: Artistic-2.0
- Data: CC-BY 4.0 (Creative Commons Attribution 4.0 International)
Copyright (c) 2017-2023 University of Luxembourg