What a neat and timely teaching tool! Literally just an hour ago today I was reading an article in Chemical Review titled "Concepts of Artificial Intelligence f

What a neat and timely teaching tool! Literally just an hour ago today I was reading an article in Chemical Review titled "Concepts of Artificial Intelligence for Computer-Assisted Drug Discovery" [0]. There was a lot of pretty standard stuff in there related to AI work but the real puzzle for me was trying to come up with a clean way to store and work with these data sets. I had come up with a few possible solutions that seemed decent but I knew there had to be a more standardized format. After struggling to get the correct search terms I decided to take a coffee break and then lo and behold, I come across this post. Thank you Mr. Hansom, you have successfully kept me busy the rest of the night :) [0]https://pubs.acs.org/doi/10.1021/acs.chemrev.8b00728 https://pubs.acs.org/doi/10.1021/acs.chemrev.8b00728