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Computer system predicts products of chemical reactions

When organic chemists identify a useful chemical compound — a new drug, for instance — it’s up to chemical engineers to determine how to mass-produce it. There could be 100 different sequences of reactions that yield the same end product. But some of them use cheaper reagents and lower temperatures than others, and perhaps most importantly, some are much easier to run continuously, with technicians occasionally topping up reagents in different reaction chambers.

Articles

Computer system predicts products of chemical reactions

When organic chemists identify a useful chemical compound — a new drug, for instance — it’s up to chemical engineers to determine how to mass-produce it. There could be 100 different sequences of reactions that yield the same end product. But some of them use cheaper reagents and lower temperatures than others, and perhaps most importantly, some are much easier to run continuously, with technicians occasionally topping up reagents in different reaction chambers.

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