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Showing posts from April, 2018

Schema changes coming in ChEMBL_24

Since ChEMBL was first released in 2009, the diversity of data sources and data types in the database has increased significantly. Increasingly, we are dealing with more complex assays such as measurement of drug pharmacokinetic parameters or toxicology data sets such as clinical biochemistry and tissue histopathology data. There are a number of problems handling these kinds of assays with the current data model/database schema. For example, since parameters such as compound doses or time points could not be recorded against individual activity measurements (only the whole assay) such experiments were typically split so that a separate assay was created for each compound or time point measured. This is obviously far from ideal. Another issue is that such experiments frequently measure or derive multiple endpoints from a particular assay (e.g., AUC, Cmax, tmax, t1/2 for a pharmacokinetic study) or produce large amounts of raw data that may need to be associated with summary-level

Join the ChEMBL Team!

We are looking for talented individuals to help us maintain and develop the ChEMBL and SureChEMBL resources and currently have a number of open positions within the team. If you are looking for an exciting new role and would like to work with us on the beautiful Wellcome Genome Campus , here are details of the positions: Data Integration Scientist We are looking for a Scientist with a passion for data integration to manage the incorporation of drug discovery data into the ChEMBL database. Responsibilities will include: Responsibility for the handling, processing and integration of data into the ChEMBL database. Facilitating the deposition of datasets directly into ChEMBL through working with external collaborators. Applying text- & data-mining techniques for the development of effective large-scale curation strategies. Developing methods for the application and maintenance of ontologies in ChEMBL. Working with other teams to facilitate the integration of