The new computer-aided synthesis design tool ICSYNTH has been evaluated by comparing its performance in predicting new ideas for route design to that of historical brainstorm results on a series of commercial pharmaceutical targets, as well as literature data. Examples of its output as an idea generator are described, and the conclusion is that it adds appreciable value to the performance of the professional drug research and development chemist team.
Anders Bøgevig‡, Hans-Jürgen Federsel*†,Fernando Huerta‡, Michael G. Hutchings*§, Hans Kraut§, Thomas Langer†, Peter Löw§, Christoph Oppawsky§, Tobias Rein‡, and Heinz Saller§
† Chemical Development, AstraZeneca R&D, Silk Road Business Park, Macclesfield, SK10 2NA Cheshire, U.K.
‡Chemnotia AB, Forskargatan 20 J, 151 36 Södertälje,Sweden
§InfoChem GmbH, Landsberger Straße 408/V, D-81241 München, Germany
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