ITTC Project

CAREER: Mining Genome-wide Chemical-Structure Activity Relationships in Emergent Chemical Genomics Databases

Project Award Date: 07-01-2009


ITTC will develop an integrated research and education program for advancing the underlying theoretical and computational principles of data mining in the emergent chemical genomics databases. The core technical innovations are advances in (i) developing effective kernel-based representations and structure pattern extraction and selection methods to capture the intrinsic characteristics of irregular and discrete spaces such as the chemical space, (ii) designing methods for adaptive and scalable similarity search in large databases of complex data and methods for accurate classification model construction with imbalanced and out-of-domain data, and (iii) deriving application oriented validation.

A key strength of this work is the application of the theoretic and computational advancements to real-world problems, namely, chemical toxicity prediction based on microarray gene expression profiles and high-throughput chemical screening. By developing innovative tools for graphs and geometric structures, ITTC will enable much better techniques for searching, mining, and analyzing domains of complex data. The timely effort integrates and advances knowledge in three communities: cheminformatics, data mining, and machine learning.


Faculty Investigator(s): Jun Huan (PI)

Student Investigator(s): Brian Quanz, Jintao "Leo" Zhang, Fengmei Wu, Yao He, Meenakshi Mishra, Abenezer Letta, Peter Adany, Yi Jia, Hongliang Fei, Avindra Fernando, , , Lauren Beesley, , Peng Hao, , Parker Roth, Chao Lan, Kaige Yan, Vanessa Tran, Kendal Harland

Project Sponsors

Primary Sponsor(s): National Science Foundation

Partner with ITTC

The Information and Telecommunication Technology Center at the University of Kansas has developed several assistance policies that enhance interactions between the Center and local, Kansas, or national companies. 

ITTC assistance includes initial free consulting (normally one to five hours). If additional support is needed, ITTC will offer one of the following approaches: 

Sponsored Research Agreement

Individuals and organizations can enter into agreements with KUCR/ITTC and provide funds for sponsored research to be performed at ITTC with the assistance of faculty, staff and students.

Licensing and Royalty/Equity Agreement

An ITTC goal is the development of investment-grade technologies for transfer to, and marketing by, local, Kansas, and national businesses. To enhance this process, the Center has developed flexible policies that allow for licensing, royalty, and equity arrangements to meet both the needs of ITTC and the company.

Commercialization Development

Companies with a technology need that can be satisfied with ITTC's resources can look to us for assistance. We can develop a relationship with interested partners that will provide for the development of a technology suited for commercialization.

ITTC Resource Access

ITTC resources, including computers and software systems, may be made available to Kansas companies in accordance with the Center's mission and applicable Regents and University policies.

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