HOME- Bryn Mawr Conference
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- 2010 Oxford (Discovery)
- 2010 Oxford (ADMET)
- 2009 Oxford (Discovery)
- Baxendale, J
- Blanchard, H
- Bryant, S
- Coveney, P
- Hardy, B
- Gangal, R
- Hawkins, P
- Klamt, A
- Knapp, S
- Kranz, M
- Liebeshuetz, J
- Oledzki, P
- Pirok, G
- Wright, D
- Wolber, G
- Zamora, I
- Poster Session
- Bursary Award
- 2009 Oxford (ADMET)
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James Baxendale is the president and CEO of Synaptic Science LLC based in
Rockville Maryland in USA.
Prior to founding Synaptic Science LLC in early 2006 James worked at Celera
Genomics for 6 years where in addition to his contributions to the SEURAT
small molecule discovery platform, around which Synaptic Science was formed,
he authored several decision support applications in support of the
discovery of differentially expressed cell surface proteins as well as the
visualization, annotation (both automated and interactive) and subsequent
publication of the location and function of the genes and transcripts that
make up the human and drosophila genomes.
James is a software development specialist with over 18 years of experience
designing and implementing large scale, distributed software solutions with
a specialty in the successful management of large inter-disciplinary teams
tasked with constructing innovative solutions in the chemoinformatics,
proteomics, genomics, process control, logistics and telecommunications
domains. James holds a Bachelor of Computing Science and a Graduate
Certificate of Technology Management from Wollongong and LaTrobe
universities in Australia.
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Introduction to SEURAT and the c-Met SAR dataset
James Baxendale (Synaptic Science)
SEURAT or Structure Exploration Utility for Rational Therapeutics was
designed in collaboration with and used day-to-day by approximately 200
scientists (Medicinal Chemists, Biologists, Comp Chemists, Structural
Biologists, Preclinical (PK, Tox), Project Leads and Legal) working on 10
small molecule projects that were active at Celera Genomics between 2002 and
2006.
When Celera made the strategic decision to exit the drug discovery business
in early 2006 and become a diagnostics company, Synaptic Science LLC was
formed to continue the work Celera started.
In this introductory session we will be using the c-Met SAR dataset (one of
the 10 Celera was working on) to understand how SEURAT can be used to
maximize the information flows on a project team with the goal being to add
value in an environment where the project lead has mastered all the
literature around their target and their top lead series and who can
interact directly with the data producers to find out the latest results
(often circumventing our informatics solutions).
Why should this be the goal?
Because we want to be sure our discovery informatics solutions are not just
facilitating the "curation of a garbage dump" of data whose utility for
decision support has come and gone. If we waste time shipping data between
applications, trying to find our data, match it to in-licensed databases,
remembering how to access our crystallography data and how to run important
computations the project lead has already moved on...
We will see how SEURAT helps us to:
. Automatically and Easily Share Project Information Updates
. Achieve Pain Free Reporting and Re-Reporting
. See Comprehensive Compound Data in One Interface (Corporate &
Outside)
. Easily Find Data (Overcome the Assay Landslide!)
. Employ Effortless yet Flexible Data Pivoting & Averaging
. Provide Easy-to-use Calculation Engine and Analytics
. Optimize the Hit-to-Lead, Lead Discovery, Lead Optimization and
Candidate Selection functions
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