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ChEMBL is a database of bioactive drug-like small molecules, it contains 2-D structures, calculated properties (e.g. logP, Molecular Weight, Lipinski Parameters, etc.) and abstracted bioactivities (e.g. binding constants, pharmacology and ADMET data). The data is abstracted and curated from the primary scientific literature, and cover a significant fraction of the SAR and discovery of modern drugs We attempt to normalise the bioactivities into a uniform set of end-points and units where possible, and also to tag the links between a molecular target and a published assay with a set of varying confidence levels. Additional data on clinical progress of compounds is being integrated into ChEMBL at the current time.
SRUC is currently on a transformational journey as we move towards becoming a unique, market-led and mission diverse 21st Century rural university, driving the future needs of a dynamic, innovative and competitive rural sector in Scotland, and working with our collaborators and partners worldwide to solve the biggest global agrifood challenges. Our researchers already carry out strategic and applied research on global and local food security issues, and actively support the translation of research results into practice. Our research ethos is strongly collaborative, and we have a long history of industrial, NGO and academic partnerships locally and internationally. As well as having longstanding disciplinary strengths in several key areas, we actively promote interdisciplinary research, especially linking natural and social sciences. We have a particular interest in research that helps inform policy, with Scottish and UK Government rural affairs and environment departments and the EU as key research clients.