Burggraaff, Lindsey (2020): Text-mined orthosteric and allosteric compound dataset. Version 1. 4TU.ResearchData. dataset. https://doi.org/10.4121/uuid:de9e9805-916f-47e5-8e72-323f675d5d5a

Dataset

• Medicinal and Biomolecular Chemistry
• Pharmacology and Pharmaceutical Sciences

allosteric, allosterism, cheminformatics, dataset, drug discovery, text mining

CC0

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by Lindsey Burggraaff

Compound dataset retrieved from the ChEMBL database using text mining. Text-mined orthosteric and allosteric binding types annotations are included in the dataset.

• 2020-05-27 first online, published, posted

4TU.Centre for Research Data

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