The ChEMBL-og

Credit: Science biotech, CC BY-SA 4.0 Assays des cribe the experimental set-up when testing the activity of drug-like compounds against biological targets; they provide useful context for researchers interested in drug-target relationships. Ver sion 33 of ChEMBL contains 1.6 million diverse assays spanning ADMET, physicochemical, binding, functional and toxicity experiments. A set of well-defined and structured assay descriptions would be valuable for the drug discovery community, particularly for text mining and NLP projects. These would also support ChEMBL's ongoing efforts towards an  in vitro  assay classification. This Blog post will consider the features of the 'perfect' assay description and provide a guide for depositors on the submission of high quality data. ChEMBL's assays are typically structured with the overall aim, target, and method .  The ideal assay description is succinct but contains all the necessary information for easy interpretation by database u...

Termite annotation in action. (Termite not to scale) SureChEMBL is perhaps the only freely available, large-scale, comprehensive and live resource of chemistry extracted from the patent literature. SureChEMBL automatically annotates, normalises and indexes chemistry found in the full text, images and attachments (i.e. mol files) of patent documents. The next logical step for us, was to complement the chemical annotations with biological ones, such as mentions of gene names and classifications, protein classes and disease indications. As the first step towards this direction, we used Termite provided by SciBite (via funding from OpenPHACTS ) to integrate these annotations dynamically into the full text patent view of the SureChEMBL user interface; in other words, you can now view biological annotations on-the-fly. How do I add the annotations and navigate through them? There is now an additional checkbox underneath the ' Highlight additional recognised...