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gopalvtoday at 6:21 AM4 repliesview on HN

The non-professional side of Organic Chemistry is one place where I think AI would really shine.

Feels complex like solving a Rubik's cube to write down synthesis steps but it is all a sequence of memorized tricks. Do Cannizaro if you want this, Bergmann to do that.

But the synthesis plan is only 10% of the actual work.

The gap between writing down the synthesis step and actually doing it is also extremely large.

Even if you get the right molecule, it might be the wrong way around or just clump up into a useless mess.

The Ritonavir episode of Veritasium is a great example of how all chemistry on paper is a mere shadow of what actually happens in real life.


Replies

ElFitztoday at 7:46 AM

> Feels complex like solving a Rubik's cube to write down synthesis steps but it is all a sequence of memorized tricks. Do Cannizaro if you want this, Bergmann to do that.

I remember two years ago, when I actually got into using graph data structures, wondering if maybe the "space" of available reactions for any given starter and target molecules could be mapped as a graph, with intermediates as nodes and reactions as weighted directed edges, so synthesis becomes pathfinding through chemical space.

Turns out, it’s a thing! [^0]

Edit: Makes you wonder how much interesting stuff is sitting in plain sight, waiting for someone with the right cross-domain awareness / knowledge / whatever to notice it.

[0]: https://pmc.ncbi.nlm.nih.gov/articles/PMC9574932/

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tylergetsaytoday at 1:13 PM

Hamilton Morris and his stuff on clandestine chemistry is super interesting in this domain. Sometimes the chemistry is straight forward but access to certain chemicals is hard, so the procedure must change based on what's available not necessarily what's ideal

jgiliastoday at 6:25 AM

> Even if you get the right molecule, it might be the wrong way around or just clump up into a useless mess.

Sounds a lot like vibe coding lol

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reinitctxoffsettoday at 6:48 AM

Organic chemistry seems like a discipline better done by chemists than forward deployed staff with their payoff function sharply truncated at an IPO which at this point may or may not happen on schedule.