As a medchemist I lived and breathed SAR. And, working with Spotfire, I still kind of do as that tool is often used to allow quick comparison of many properties and make SAR much easier than looking at Excel tables. My question is this.... how many other industries use similar methodologies?
I talked to a major unnamed oil and gas company once, but their homogeneous catalysis unit (metallocenes) and they were doing essentially SAR on their catalysts - albeit with different properties than the cLogP and #RotationalBonds that a medchemist is used to.
I'd be fascinated to learn what other non medchem chemists use similar techniques - be it battery development, paints, stuff to keep mollusks from growing on your boats or maybe process chemistry. What tools do people use (Excel, Spotfire, JMP?). And what properties do they use in lieu of the traditional cLogP etc.I think in process development, there are a variety of data tracking tools (and various Design of Experiments software packages.) I think I'm still a fan of Excel, but I am probably stuck in the Dark Ages. I think most research-intensive organizations do some sort of multi-parameter optimization, but I dunno what kind of parameters they have, and how they keep track of all the data. Readers?