Is VR useful for drug discovery?

I read the article about the VR application in drug discovery. I felt it is very interesting approach because it allows chemists to see molecules directly.

Also there are many tools and services to use same approach. Now chemists can dive in to a protein pocket and look deeply around the site.

Some articles said that VR makes drug design process more intuitively. Hmm… is it true? Of course the approach provides new opportunity to view the binding site or any other thing. It will be exciting and will be easy to understand 3D structure. Just like “Don’t think feel”…. It is opposite to AI( Machine Learning ) driven drug discovery. I think most of drug design process is not intuitive. And current VR system lacks the sense of touch the feel. User can not feel the repulsion or attraction between ligand – protein interaction directly.
If VR drug design works very well, it indicates there are many elements which are not still defined as descriptors or energy I think. (It just my opinion…)

From AI side, I found very interesting article about making “SAKE” with AI.
The article describes a Toji’s challenge to making “SAKE” with AI. Toji is the chief brewer at a sake brewery.
They collected many data from their brewing process and trained AI with the data.

These technologies are progressing rapidly, so I might be necessary to change my opinion soon.
VR and AI is very attractive and interesting area for me. I would like to follow the fashion.

Published by iwatobipen

I'm medicinal chemist in mid size of pharmaceutical company. I love chemoinfo, cording, organic synthesis, my family.

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