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Generating Synthetic Pathways for Target Molecules

Thursday, 28 March 2019 13:56
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Ed Champness

In this webinar, held on 26 March 2019, Ed Champness (Optibrium) and Valentina Eigner-Pitto (InfoChem) presented an overview of the new collaboration with InfoChem to provide StarDrop™ users with access to ICSYNTH light, an entry-level version of InfoChem’s computer-aided synthesis design software.

ICSYNTH light uses a transform-based approach to generate synthesis pathways for target molecules, even if these are novel and/or unpublished. The advanced cheminformatics algorithm suggests precursors using chemical rules automatically generated from reaction databases, with machine learning approaches.

StarDrop can access ICSYNTH light to evaluate possible synthetic pathways for new molecules designed in StarDrop’s interactive designer or Nova™ module. We have no doubt it will prove to be an invaluable tool for chemists to easily understand the synthetic tractability of proposed new molecules.

 

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Last Updated on Thursday, 28 March 2019 14:07  
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