The ChEMBL-og

Two exciting post-doctoral projects are available via the ESPOD and EBPOD schemes between the European Bioinformatics Institute and respectively the Sanger Institute and the NIHR Cambridge Biomedical Research Centre (BRC). Post-doctoral fellows appointed via these schemes work on projects under the joint supervision of faculty members from EMBL-EBI and the Sanger or BRC as appropriate. Specifically: (a) In collaboration with Mathew Garnet at the Sanger Institute, a project to exploit the potential of combining large-scale drug sensitivity screening platforms with the chemogenomics resources and expertise at the EBI. A full description of the project can be found here:  http://www.ebi.ac.uk/sites/ebi.ac.uk/files/groups/research_office/ESPOD2017/05%20Leach-Garnett.pdf . Applications can be made via the relevant link here:  http://www.ebi.ac.uk/research/postdocs/espods (b) In collaboration with Vasilis Kosmoliaptsis in the Department of Surgery at Addenbrooke’s hospi...

We are pleased to announce the release of ChEMBL_23. This release was prepared on 1st May 2017 and contains: * 2,101,843 compound records * 1,735,442 compounds (of which 1,727,112 have mol files) * 14,675,320 activities * 1,302,147 assays * 11,538 targets * 67,722 source documents Data can be downloaded from the ChEMBL ftp site:  ftp://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/releases/chembl_23 Please see ChEMBL_23 release notes for full details of all changes in this release:  ftp://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/releases/chembl_23/chembl_23_release_notes.txt DATA CHANGES SINCE THE LAST RELEASE In addition to the regular updates to the Scientific Literature, FDA Orange Book and USP Dictionary of USAN and INN Investigational Drug Names and Clinical Candidates, this release of ChEMBL also includes the following new data: Patent Bioactivity Data With funding from the NIH Illuminating the Druggable Genome project (h...

Technical internships at ChEMBL. We are looking for skilled Computer Science (and related fields) students with strong programming skills to join our team for 3-6 month internships . This is not necessarily a summer internship program, you can start whenever convenient for you after being accepted. Please take a look at some of the research ideas / candidate profiles below: 1. Java programmer -  we are looking for a person with experience in Java to develop a prototype of new KNIME nodes for interacting with the ChEMBL API . Experience with REST and/or KNIME is a plus but not a requirement - you can learn it during your internship. A very important thing to note that you should be excited about UX and creating user-friendly and pragmatic GUI s. 2. C++ programmer - we would like to invite a person passionate about C++ and pattern recognition / image processing to experiment with optimising the open-source OSRA code. OSRA is like OCR but for molecules. We want to ...

Have you ever identified an interesting compound and wondered what else is known about it?   For example is there any bioactivity data on it in ChEMBL or PubChem?   Is there any toxicity data on it (CompTox)?   Then having found interesting data on a compound wondered if it can be purchased or whether it has been patented.   All this can be done using UniChem.   Interested?    Come along to our webinar on 29th March at 2pm BST  (3pm CEST, 9am EDT) You will however need to register by emailing chembl-help . Places are limited so please let us know as soon as possible if you register but are then unable to attend. If you want to know more about UniChem please read on. UniChem ( https://www.ebi.ac.uk/unichem/  is a simple system we have developed to cross-reference compounds across databases both internal to EMBL-EBI and externally. Currently we have cross-references to 140 million compounds in 30 different databases. Information about t...

We are looking to recruit a scientist to support our work for the Horizon 2020 project “ Coordinated Research Infrastructures Building Enduring Life-science services ” (CORBEL). The role is to facilitate scientists in their use of chemogenomics resources by enabling database searching and evaluation of data. To be responsible for liaising with scientists engaged in CORBEL and advising on the use of chemogenomics resources to progress their projects; To help in the identification and analysis of bioactivity data from multiple database resources; To construct and utilize appropriate workflows to facilitate the pharmacological profiling of molecules and chemotypes, the identification of potential off-target effects and the development of target prediction models; To identify interoperability gaps between resources and help with developing solutions; To organize and run appropriate training courses for scientists engaged in the CORBEL project;  For full details of the posit...

There is currently an opening for a Protein Computational Scientist to work on methods to assess and quantify the tractability (druggability) of potential new targets for drug discovery. This is a two year position funded by the Open Targets initiative. The appointee will work with scientists from the Open Targets partners to assess, validate and develop methods for quantifying target tractability with the ultimate goal of incorporating such methodologies into the target validation platform (https://www.targetvalidation.org/). The initial focus will be on “small molecule” tractability but we are also interested in other modalities in due course (e.g. antibody therapies). Many of the current methods to assess small molecule tractability are based on the use of 3D protein structures, but such information is only available for a subset of potential targets; a key component of the project is to determine robust methods and pipelines that can be applied to novel targets where there i...

We will be running a new series of webinars over the next few months. These will cover a range of topics including basic introductions to the Chemogenomics resources (ChEMBL, SureChEMBL, UniChem) as well as more detailed topics, a schema walkthrough and ChEMBL web services. The first webinar will be a basic introduction to ChEMBL and will be on 22nd February at 2pm GMT (3pm CET, 9am EST). If you would like to attend the webinar, please email to register . Please note, spaces are limited so please let us know as soon as possible if you register but are then unable to attend. We will post further details of upcoming webinars here, so watch this space! The ChEMBL Team