Hi Chem Buffs,
Just dropped a new 30-minute tutorial video on how to do QSAR prediction using both classic features and SMILES strings with Torch. It uses a "cool" new data set recently published in Nature Communications on ice recrystallazation inhibitors (attached) assembled from https://github.com/gcsosso/DOLMEN
If you are in an Asia-friendly time zone, please encourage your customers to sign up for Yuichi's online webinar on March 27 that will include this video plus more great content from him. データからインサイトを：JMP Proでデータを分析する | JMP
Also, Florian and I will talk a little about this example during our poster in Berlin. Hope to catch up with you Euro rascals there and happy to meet with your customers in person.
The video is in \\jmpsrv01\Users\Wolfinger\Videos\ file Torch_SMILES.mp4. It's 260 MB so suggest downloading a local copy before viewing.
A bunch more examples are in \\tdl\Public2\SMILES\ including SMILES Toxicity.jmp that Massimo has been playing with.
Grinning,
Russ
