What do we know?: simple statistical techniques that help.
An understanding of simple statistical techniques is invaluable in science and in life. Despite this, and despite the sophistication of many concerning the methods and algorithms of molecular modeling, statistical analysis is usually rare and often uncompelling. I present here some basic approaches that have proved useful in my own work, along with examples drawn from the field. In particular, the statistics of evaluations of virtual screening are carefully considered.
Nicholls
Anthony
A
OpenEye Scientific Software, Santa Fe, NM, USA.
D000465:Algorithms; D003198:Computer Simulation; D003627:Data Interpretation, Statistical; D006801:Humans; D008958:Models, Molecular; D015233:Models, Statistical