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by gilleain
1477 days ago
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Ah, I do not think they are proposing a database of _predicted_ chemical reactions but of _known_ reactions. I absolutely agree that enumerating reactions would suffer from combinatorial explosion (as opposed to chemical explosions, hoho). However there have been some efforts in what I know find is called 'computational retrosynthesis' (I think): https://www.chemistryworld.com/features/computer-guided-retr... Of course, any 'prediction' of a reaction relies on some model to give you an idea of how feasible it is to do in the lab, so I'm less worried about . There's the classic Derek Lowe post (that I've seen on here before, but still) about 'FOOF': https://www.science.org/content/blog-post/things-i-won-t-wor... |
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