Transformations in PubChem - Full Dataset

Creators	Emma Schymanski Evan Bolton Tiejun Cheng Paul Thiessen Show more Jian (Jeff) Zhang Rick Helmus Gerd Blanke Show less
Publication date	02-04-2024
Description	This is an archive of the data contained in the "Transformations" section in PubChem for integration into patRoon and other workflows. For further details see the ECI GitLab site: README and main "tps" folder.
Publisher	Zenodo
Organisations	Faculty of Science (FNWI) - Institute for Biodiversity and Ecosystem Dynamics (IBED)
Document type	Dataset
DOI	https://doi.org/10.5281/zenodo.10998412
Other links	https://zenodo.org/records/10998412 https://doi.org/10.1186/s13321-018-0277-8
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