MULTI-INTELLIGENT SYSTEM FOR TOXICOGENOMIC APPLICATIONS (MISTA)

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United States of America Patent

APP PUB NO 20090024547A1
SERIAL NO

11779186

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ATTORNEY / AGENT: (SPONSORED)

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Abstract

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A system (100) and method (800) to predict toxicological effects of molecules is provided. The method can include obtaining (802) a three-dimensional (3-D) structure of a molecule from a database, transforming (804) the 3-D structure to a one-dimensional (1-D) geometrical representation using a combination of a molecular transform (114) and wavelet transform (115), computing a topology and electronic structure of the molecule via topological indices, and generating a feature vector (500) comprising the 1-D geometrical representation (510), and the topology and the electronic structure (520). The system can predict at least one among metabolic processes, modes of action, hepatotoxicity, and neurotoxicity.

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Patent Owner(s)

Patent OwnerAddress
UT-BATTELLE LLCONE BETHEL VALLEY ROAD 5002 MS-6265 OAK RIDGE TN 37831

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Inventor(s)

Inventor Name Address # of filed Patents Total Citations
Lu, Po-Yung Oak Ridge, US 1 13
Martin, Sheryl A Louisville, US 1 13
Noid, Donald W Marshall, US 2 16
Piotrowski, Pamela L Annapolis , US 1 13
Sumpter, Bobby G Knoxville, US 5 20
Wassom, John S Rockwood, US 1 13

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