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  The use and application of multi-task neural networks is growing rapidly in cheminformatics and drug discovery. Examples can be found in the following publications: - Deep Learning as an Opportunity in VirtualScreening - Massively Multitask Networks...
We have two exciting opportunities for scientists to come and work with the ChEMBL team at the Wellcome Genome Campus in Hinxton near Cambridge. If you've used ChEMBL in the past perhaps now is the chance to come and shape its future.  Even if you haven't...
We are pleased to announce the release of ChEMBL 25 and our new web interface. This version of the database, prepared on 10/12/2018 contains:2,335,417 compound records1,879,206 compounds (of which 1,870,461 have mol files)15,504,603 activities1,125,387 assays12,482...

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

 FPSim2 is a new tool for fast similarity search on big compound datasets (>100 million) being developed at ChEMBL. It was developed as a Python3 library to support either in memory or out-of-core fast similarity searches on such dataset sizes.It is built...
  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...