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 Happy New Year from the ChEMBL Group to all our users and collaborators. Firstly, do you want a new challenge in 2019?  If so, we have a position for a bioinformatician in the ChEMBL Team to develop pipelines for identifying links...
Fancy playing with RDKit C++ API without needing to set up a C++ project and compile it? But wait... isn't C++ a compiled programming language? How this can be even possible? Thanks to Cling (CERN's C++ interpreter) and xeus-cling jupyter kernel is possible...
Check out our new article that provides a classification of in vivo pharmacology assay data in ChEMBL so that assays that investigate a similar disease or phenotype can be grouped: http://dx.doi.org/doi:10.1038/sdata.2018.230A substantial dataset of more...

Most popular posts

We are pleased to announce the release of ChEMBL_13. This latest version of the ChEMBL database contains: 1,304,115 compound records1,143,682 distinct compounds617,681 assays6,933,068 bioactivities8,845 targets44,68 documents8 data sources This release includes...
We are pleased to announce the release of ChEMBL_11. This latest version of the ChEMBL database contains: 1,195,368 compound records1,060,258 distinct compounds 582,982 assays5,479,146 activities8,603 targets42,516 documents7 activity data sources You can download...
We are pleased to announce the release of ChEMBL_10. This latest version of the ChEMBL database contains: 1,118,566 compound records1,000,468 distinct compounds534,391 assays4,668,202 bioactivities8,372 targets40,624 documents6 data sources This release of...

Latest posts linking here

  Recently ChEMBL was updated to version 24 the update contains:2,275,906 compound records1,828,820 compounds (of which 1,820,035 have mol files)15,207,914 activities1,060,283 assays12,091 targets69,861 documentsIn addition today they released the predictive...
This have been introduced and cogitated upon in a number of places, including the usual NRDD 2011 FDA drug approvals article, but I will include open links from the ChEMBL Blog.  There is a lot of useful information and context in these, including target...
ChEMBL 13 has been released.This release includes updates to the manually extracted Medicinal Chemistry literature, updates to OrangeBook drug approvals and a update from PubChem BioAssay. This release also contains data sets related to screening against human...