Conference - Indiana Chemoinformatics Meeting

Conference - Indiana Chemoinformatics Meeting - 11th December

Chris Steinbeck and I are off to the eScience for Chemoinformatics and Drug Discovery Meeting on the 11th December in Bloomington Indiana. Link to conference website. This should be fun, and I will try and fix up a few meetings around this. Too bad the pound is so weak against the dollar now. However, looking for 'shrooms is free, so I will try and take a days holiday while out there to try and find something interesting.

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Improvements in SureChEMBL's chemistry search and adoption of RDKit

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ChEMBL 34 is out!

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ChEMBL 26 Released

We are pleased to announce the release of ChEMBL_26 This version of the database, prepared on 10/01/2020 contains: 2,425,876 compound records 1,950,765 compounds (of which 1,940,733 have mol files) 15,996,368 activities 1,221,311 assays 13,377 targets 76,076 documents You can query the ChEMBL 26 data online via the ChEMBL Interface and you can also download the data from the ChEMBL FTP site . Please see ChEMBL_26 release notes for full details of all changes in this release. Changes since the last release: * Deposited Data Sets: CO-ADD antimicrobial screening data: Two new data sets have been included from the Community for Open Access Drug Discovery (CO-ADD). These data sets are screening of the NIH NCI Natural Product Set III in the CO-ADD assays (src_id = 40, Document ChEMBL_ID = CHEMBL4296183, DOI = 10.6019/CHEMBL4296183) and screening of the NIH NCI Diversity Set V in the CO-ADD assays (src_id = 40, Document ChEMBL_ID = CHEMBL4296182, DOI = 10.601

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