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The news, progress, whereabouts, and ephemera from the Computational Chemical Biology group at the EMBL-EBI.
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If you were looking for an up-to-date review of computational applications of bioisosterism in medicinal chemistry, then look no further. After an overview of the history and evolution of bioisosterism, the paper reports the various attempts aiming to capture...
ATC code:Wikipedia: Xofigo On May 15th, 2013 the FDA approved the alpha particle-emitting Radium Ra 223 dichloride (Xofigo) as a radiotherapeutic agent for the treatment of patients with castration-resistant prostate cancer, symptomatic bone metastases...
The Protein Kinase Inhibitor Set (PKIS) made available by GSK was recently mentioned on In the Pipeline. In collaboration with GSK, we are making the data being generated on these compounds available via the ChEMBL database. We are also...
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linked to by 2We 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...
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...
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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...
Last week, ChEMBL 13 was released, with even more data, data fixes, etc. Since my RDF for ChEMBL 09 my workflow has become more solid and uses more common ontologies, started using more common ontologies and ontologies I just like, such...
As mentioned by John Overington, the Joint EMBL-EBI/Wellcome Trust Course: Resources for Computational Drug Discovery on 2-5 July (see links here and here) is now open for registration. I'll be there as one of the trainers. From previous experience of similar...