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

Dataset

• Medicinal and Biomolecular Chemistry
• Pharmacology and Pharmaceutical Sciences

Cheminformatics, Descriptors, Drug discovery, Machine learning

CC0

RefWorks, BibTeX, Reference Manager, Endnote, DataCite, NLM, DC, CFF

by Lindsey Burggraaff

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.

• 2020-03-10 first online, published, posted

4TU.Centre for Research Data

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Leiden Academic Centre for Drug Research (LACDR), Drug Discovery and Safety