
I647 OBJECTIVES
Updated: 7 August 2006
I647 Bridging Bioinformatics and Chemical Informatics will
explore areas where chemistry and biology touch with respect to the databases and
computational tools used in chemoinformatics and bioinformatics. Material in the seminar will be related
to the
projects underway in the NIH-funded Chemical Informatics and
Cyberinfrastructure Collaboratory (ChemBioGrid).
Potential topics to be explored in the seminar through guided readings include:
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Commercial vs. public data
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Batch mode data processing in biology and chemistry
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Primary HTS data: the problem of high noise factor
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Data format standardization problems in biology and chemistry
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Chemoinformatics and bioinformatics analysis tools
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Linking biological and chemical information in computational approaches to predict biological activity, ADME profiles, and adverse drug reactions (ADR)
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Energetics of binding for more accurate and sensitive chemical representation of DNA-protein interactions
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Discovery informatics platforms that facilitate archival, sharing, integration, and exploration of synthetic methods and biological activity data
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Data pipelining approaches that make it possible to apply bioinformatics and chemoinformatics data and analyses together
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Visualization of data in biology and chemistry
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Tools that combine multiple approaches and consolidate data, such as Metaphorics Cabinet and iSpecies.org
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