Computer-guided retrosynthesis
Machine learning-based systems hope to outperform expert-guided reaction planning technology, finds Andy Extance When IBM’s Deep Blue supercomputer beat world chess champion Garry Kasparov in 1997, few chemists must have realised that this might signify a win for them too. But Bartosz Grzybowski did. Then a PhD student at Harvard University in the US, outside chemistry he plays the card game bridge avidly. Grzybowski’s opponents were interested in algorithms like Deep Blue’s. ‘I started thinking, why couldn’t this be done for molecules?’ he recalls. In particular, might similar al...
Source: chemistryworld.com