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ChEMBL20 data sets for multi-property landscape analysis

<p>Six data sets from ChEMBL (version 20) are provided with their ChEMBLID, SMILES (in SMILES.zip) and descriptor values (Properties.zip). Additionally, the coordinates of compounds and property axes displayed in the linked article are given (Coordinates.zip).</p>

ShareScore

36/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
4
Harmonization
4
Access
16
Reuse readiness
8
Engagement
4

Dataset details

Repository
zenodo
Published
July 28, 2015
License
cc-zero
DOI
10.5281/zenodo.21782

Scored with release 0.9.0

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