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Robert D Brown, PhD is currently Senior Director of Cheminformatics Marketing at SciTegic, Inc. Prior to joining SciTegic Dr Brown was Senior Director of Cheminformatics Marketing and Director of the Combinatorial Chemistry Consortium at Accelrys Inc (formerly MSI). In the latter role he was responsible for coordinating a group of leading life science companies collaborating with Accelrys in developing library design and virtual screening software. Dr Brown spend five years in the Computer Assisted Molecular Design group at Abbott Laboratories under the direction of Dr Yvonne Martin where he developed combinatorial library design software and conducted research into the validation of descriptors for diversity and similarity. Dr Brown's doctoral work was conducted at the University of Sheffield, UK supervised by Prof Peter Willett and Dr Geoff Downs.
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| Workshop, 10.00-16.30, 7 July 2006, Chemistry Research Laboratory, Oxford University |
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Discovery Data Mining using Data Pipelining
Workshop Instructor: Rob Brown, Scitegic
Data pipelining provides a framework for the rapid construction of sophisticated cheminformatics data analysis workflows. These workflows can be used to organize and mine discovery data. During this workshop you will learn how computational methods can be used for a variety of tasks such as organizing screening hits into chemical families, building SAR tables of chemical series and developing statistically-based virtual screens from experimental results. You will gain experience in building workflows to perform these analyses and present the results.
Key topics covered: Data Pipelining, Molecular manipulations, Clustering, Maximal Common Subgraph Analysis, SAR Tables, Structural Fingerprinting, Bayesian Learning, Recursive Partitioning, Reporting
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