Compound descriptors for text-mined orthosteric and allosteric dataset

dataset

posted on 10.03.2020, 00:00 authored by Lindsey BurggraaffLindsey 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.

History

Contributors

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

Publisher

4TU.Centre for Research Data

Format

media types: application/x-gzip, text/plain

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Other institutions

Keywords

Cheminformatics Descriptors Drug discovery Machine learning

Licence

CC0