From owner-chemistry@ccl.net Fri Oct 29 04:25:00 2010 From: "Matt Segall matt.segall{}optibrium.com" To: CCL Subject: CCL: New Paper: Making Priors a Priority Message-Id: <-43032-101029042158-6597-lSavQdbgNqz9rAZl5pJVWQ_+_server.ccl.net> X-Original-From: "Matt Segall" Date: Fri, 29 Oct 2010 04:21:57 -0400 Sent to CCL by: "Matt Segall" [matt.segall---optibrium.com] A new paper, "Making Priors a Priority" addresses a key challenge the community needs to address to get the most out of the predictive models we build. Just published on-line in J. Comp. Aided Mol. Design (DOI 10.1007/s10822-010-9388- 7), the paper discusses the question, "How useful will a model be in making a decision in a practical context?" To answer this requires an understanding of the prior probability distribution (the prior) and hence prevalence of negative outcomes due to the property being assessed. The full paper can be downloaded from the Springer website at http://www.springerlink.com/content/x15h763770611316/ or a free preprint is available from the Optibrium on-line community at http://www.optibrium.com/community/publications/110-making-priors-a-priority.