An ongoing challenge for the synthetic chemist is finding diverse and valid reaction routes to synthesize target molecules. Today’s computer-aided synthesis design (CASD) tools are effective, but are often limited by the quality and comprehensiveness of their reaction information. As the fields of predictive analytics, artificial intelligence and machine learning expand and evolve, new opportunities to enhance the way in which chemists design synthetic strategies are beginning to emerge. In this talk, we will share insights from our integration of industry-leading reaction content with state-of-the-art cheminformatics technology in a single retrosynthesis platform. Our new solution expands the overall scope and quality of CASD, enabling synthetic chemists to increase their efficiency and creativity when developing new molecules.

Future of computer-aided synthesis design technology for organic synthetic chemistry

2019 Spring National Meeting

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