[Research] Machine Learning in Drug Discovery

[Jeff Schneider]

Since I actually have one handy, here's an abstract for today:

Machine Learning in in vivo CNS Drug Discovery

Researchers in machine learning and operations research have made great
strides in modeling and optimization manufacturing and other commercial
processes.  A more recent trend is to observe that the scientific method 
is a process that can be modeled and optimized with similar techniques. 
  In this talk we consider a specific example of that: discovery of 
central nervous system drugs (e.g. antidepressants antipsychotics, 
anxiolytics, etc.) using in vivo behavioral testing.  Algorithms will be 
discussed in the following areas: the use of kernel density estimators 
to provide improved posterior probabilities in multi-class applications; 
the use of semi-supervised learning to handle training data with 
uncertain class labels; and the use of active learning to control 
experimentation in the discovery process.