F1000Research
Published June 1, 2015 | Version v1
Dataset Open

Sets of ChEMBL compounds with high or low confidence activity data

Authors/Creators

  • 1. Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Dahlmannstr. 2, Bonn, D-53113, Germany

Description

Two sets of compounds assembled from ChEMBL release 20 that were annotated with high or low confidence activity data were provided in separate files. For each compound in a file, the unique compound identifier (i.e., molregno), the number of targets in individual years (from 1976 to 2014) and the list of target annotations (if any) was given.

Files

Files (391.6 MB)

Name Size
md5:786c5e25094a3c174dde65e76bbf4e61
114.6 MB Download
md5:d6370e70ae9811e3425613c3c4788321
277.0 MB Download

Additional details

Related works

Is cited by
10.12688/f1000research.6473.1 (DOI)