Philip anderson more is different summary

There's been a fair bit of discussion recently about the role of modeling in drug design, and as a modeler I have found it encouraging to see people recognize the roles that modeling to varying extents plays in the whole "rational" drug design paradigm.

But sometimes I also see a question being asked that's not quite how it should be pitched.

This question is usually along the lines of "Would you (as a medicinal chemist) or would you not make a compound that a modeler recommends?".

Firstly, the way the question is set up ignores the statistical process evident in all kinds of drug design and not just modeling. You never recommend a single compound or even five of them but usually a series, often built around a common scaffold.

Philip anderson more is different summary

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Now suppose the chemist makes fifty compounds and finds only one of them to be active. Does this mean the modeling was useful? It depends. If the one hit that you get is a novel scaffold, or a compound with better properties, or one without that pesky unstable