Here is amazing paper from Leroy Cronin’s group. https://www.nature.com/articles/s41586-018-0307-8
I read the article in this morning and very excited. I know organic synthesis of course.
Conduct the reaction then work up and do purification and analyze product with NMR, IR, MS etc…
The approach in the article is very different!
You can see image from following link.
Their platform seems all in one the system perform PDCA in one place even if NMR analysis. The author performed reaction condition optimization with the automation system and machine learning.
They build a reactivity classification model and the model could predict reactivity with high accuracy. I think this technology is not only effective for reaction condition optimization but also for compound optimization in drug discovery.
They reported more than 5000 experimental results. I would like to know how long does it take to collect these data. Ultra high throughput synthesis is very attractive area for me.
And also the author published automated synthesis with 3D printer!
They made reaction vessel with 3D printer and conduct several step reactions to make ibprofen. The article was published in 2016.
Hmm… Organic synthesis will be Lego near the future. ;-)