Dan and I are here at the CHI FBDD conference, with of course other luminaries. I am not going to get into details about all the talks, Dan does that much better than I anyways. I wanted to set up some future blog posts by sharing what I think are some trends.
1. 3D fragments are real and very useful. However, fSP3 is a horrible way to measure 3D-arity. Principal Moment of Inertia (PMI) is a much better way to determine this. This was mentioned in a brilliant talk (watered down from full-fledged rant) by me. But much better explained by Justin Bower of the Beatson Institute.
2. Solubility, Solubility, and Solubility. Experimentally determined solubility is a much better indicator of fragment quality (for a library) than cLogP, for example.
3. The Voldemort Rule (or the rule that shall not be named). Arbitrary "rules" created as a marketing tool have no place in a discipline that has over a decade of results and empirical evidence. While Dan is not ready to put a stake in its heart, I am. Rod Hubbard is. Who else wants to join Zartler-Dore's Army?