Crucible Network Research Projects

Scanning and feedback from chemical structures

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Student design project for clients Matt Segall and Ed Champness from Optibrium.

Design Brief:

Computational predictive models that can generate results in fractions of seconds are used in the design of new medicines (e.g. http://www.optibrium.com/stardrop/stardrop-glowing-molecule.php). In addition, many databases exist containing further data about previously synthesised molecules. However, this information can only be predicted or recalled for molecules for which the chemical structures are stored on a computer in some form. Chemists regularly have ‘visual access’ to molecule structures (papers, meeting presentations, notebooks) with no option but to make a copy and then ‘draw’ the molecule into their computer at a later time if they wish to find out more information. Your challenge is to design and prototype a method by which a chemist with visual access to a molecule structure can find out information about a molecule within seconds of seeing it, giving real-time feedback to spot potential new medicines.