Method and system for preclassification and clustering of chemical substances

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United States of America Patent

APP PUB NO 20070213965A1
SERIAL NO

11713430

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Abstract

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Systems and methods for intuitive visualization of the relationships between molecules. Acyclic and cyclic compounds are converted to base frameworks. The molecules are mapped with each base framework, representing a multitude of molecules, mapped as a single point. The base frameworks are positioned relative to each other using similarity tests as applied to metadata which are associated with the atoms and bonds frameworks of the molecules.

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Patent Owner(s)

Patent OwnerAddress
AMERICAN CHEMICAL SOCIETY1155 SIXTEENTH STREET NW WASHINGTON DC 20036

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Inventor(s)

Inventor Name Address # of filed Patents Total Citations
Lucas, Karen A Columbus, OH 2 1
Trippe, Anthony J Dublin, OH 4 133
Wilson, Jeffrey M Columbus, OH 4 22

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