[mana]

hi all
does computational drug design such as QSAR and pharmacophore modeling have any application in the industry? or just it is valuable in finding new theories and publishing paper?

[jeffmoonchop]

I think in larger companies there are in silico departments where computational chemistry is common. Even in small biotech companies like mine we would like someone to model our work because it can be quicker and cheaper to screen potential targets than to actually spend the money on materials to do it experimentally.

[Babcock_Hall]

https://pubmed.ncbi.nlm.nih.gov/30620568/

Vertex Pharmaceuticals comes to mind, but I don't know any specifics concerning their techniques.