Computational chemists in relation to experimental ones

less than 1 minute read


Here is a paper buried in my reading backlog, and I am pleasantly surprised that it has useful insights particularly for me.

Even though what the authors talk about is computational chemists and medicinal chemists in pharma research setting, I still learn some stuff applicable to my own role as computational chemists collaborating with experimental biologists mosts of the time. With the advent of AI, the authors then argue that the old dynamic must change.

There is a need for computational chemists to well delineate the limits of their techniques and set expectations reasonably and equally for medicinal chemists to both appreciate the bounds of what is on offer and also recognize that an equivalent evaluation of their own “hunches and predictions” might not perform any better.

Leave a Comment

Your email address will not be published. Required fields are marked *