Compound descriptors for text-mined orthosteric and allosteric dataset
Datacite citation style:
Burggraaff, Lindsey (2020): Compound descriptors for text-mined orthosteric and allosteric dataset. Version 1. 4TU.ResearchData. dataset. https://doi.org/10.4121/uuid:5738caea-2390-4dc7-9830-8d9644232144
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Dataset
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Compound descriptors for compounds retrieved from the ChEMBL database. Descriptors to annotate the compounds chemically and based on physicochemical properties. To be used in cheminformatics.
history
- 2020-03-10 first online, published, posted
publisher
4TU.Centre for Research Data
format
media types: application/x-gzip, text/plain
organizations
Leiden Academic Centre for Drug Research (LACDR), Drug Discovery and Safety
DATA
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README.txt -
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S6_Compound_Descriptors.tsv.gz - download all files (zip)
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