Towards Evidence Based Medicinal Chemistry via Big Data Analysis

A session at JCUP IV

Friday 7th June, 2013

2:30pm to 3:15pm (CJT)

Hit and lead optimisation are the most expensive parts of a drug discovery program. Reliable approaches to optimization in drug-discovery remains one of the intractable problems in the field. Recent advances in matched molecular pair analysis, particularly computer algorithms which do not require human intervention, provide examples of structural changes that achieve ADMET optimisation from a sound statistical evidence base. These can be used to capture and share knowledge within large organisations across corporate and geographical boundaries. Examples of their use and solutions to some of the problems with generating such an evidence base will be presented along with some creative extensions.

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Ed Griffen

Technical Director at Medchemica Ltd bio from LinkedIn

Next session in Ohtemachi SunSky Room

3:15pm Knowledge based Chemical Libraries for Drug Discovery by Satoru Kanai

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Japan Japan, Tokyo

6th7th June 2013

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Time 2:30pm3:15pm CJT

Date Fri 7th June 2013


Ohtemachi SunSky Room, Asahi Seimei Ohtemachi Building

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