One of the first add-ins I wrote back when Accelrys Draw was called MDL Draw (and I had less grey hair) was the Bioavailability Plot (aka Rule of 5 Radar Chart). The new Radar Chart add-in is an extensive rework of the existing Bioavailability Plot.
The Bioavailability Plot prototype was flawed: it's axes and the properties they charted were fixed rigidly at 5: MW, alogP, PSA, Rotatable Bond count and what was supposed to be aqueous solubility (but there wasn't a Cheshire script available for aqueous solubility and I never completed my work to create one...)
So what's new in the Radar Chart Addin?
- Unlimited calculations.
- Plot upto 12 properties at a time.
- Choose from a set of predefined Cheshire calculations or add your own.
- Effortlessly pull in calculation results from PipelinePilot
All this and you can still turn on the ability to recalculate as you draw.
Screen cam to follow...