The Importance of Statistics in Molecular Modeling

A session at JCUP IV

Friday 7th June, 2013

10:00am to 10:30am (CJT)

Statistics is an important part of any science, including molecular modeling. And yet publications in our field often lack even basic concepts, such as error bars on computational results. In response, this summer's Gordon conference on Computer Aided Drug Discovery Gordon (20th-24th of July) will discuss what standards should be expected, and why. This talk will cover broad areas of importance that will be addressed this summer, namely poor sampling in datasets, appropriate NULL model to test theories, the influence of parameters, and the problems raised by experimental noise. It is hoped this meeting may eventually improve the statistical foundations of our field.

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Anthony Nicholls

CEO, OpenEye Scientific Software

Next session in Ohtemachi SunSky Room

10:30am Bayes factors in QSAR by Kim Branson

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Japan Japan, Tokyo

6th7th June 2013

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Time 10:00am10:30am CJT

Date Fri 7th June 2013


Ohtemachi SunSky Room, Asahi Seimei Ohtemachi Building

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