Grantee Research Project Results

Cheminformatics Tools for Toxicant Characterization

EPA Grant Number: R832721C004
Subproject: this is subproject number 004 , established and managed by the Center Director under grant R832721
(EPA does not fund or establish subprojects; EPA awards and manages the overall grant for this center).
Center: New Jersey Research Center for Environmental Bioinformatics and Computational Toxicology
Center Director: Welsh, William J.
Title: Cheminformatics Tools for Toxicant Characterization
Investigators: Welsh, William J.
Current Investigators: Welsh, William J. , Georgopoulos, Panos G. , Floudas, Christodoulos , Rabitz, Herschel , Androulakis, Ioannis , Ierapetritou, Marianthi , Tong, Weida
Institution: University of Medicine and Dentistry of New Jersey
Current Institution: University of Medicine and Dentistry of New Jersey , Princeton University , Rutgers , U.S. Food and Drug Administration
EPA Project Officer: Hahn, Intaek
Project Period: October 1, 2005 through September 30, 2010
RFA: Computational Toxicology: Environmental Bioinformatics Research Center (2004) RFA Text | Recipients Lists
Research Category: Computational Toxicology , Human Health , Safer Chemicals

Objective:

The Research Center will bring together a team of computational scientists, with diverse backgrounds in bioinformatics, cheminformatics and enviroinformatics, from UMDNJ, Rutgers, and Princeton Universities, and the USFDA’s Center for Toxicoinformatics. This team will address, in a systematic and integrative manner, multiple elements of the toxicant Source-to-Outcome sequence ( Investigational Area 1, as identified in the RFA) as well as develop cheminformatics tools for toxicant characterization ( Investigational Area 2, Predictive Models for Hazard Identification ). The computational tools to be developed through this effort will be extensively evaluated and refined through collaborative applications involving Center scientists as well as colleagues from the three universities and USEPA; particular emphasis will be on methods that enhance current quantitative risk assessment practices and reduce uncertainties.

Publications and Presentations:

Publications have been submitted on this subproject: View all 8 publications for this subproject | View all 330 publications for this center

Journal Articles:

Journal Articles have been submitted on this subproject: View all 1 journal articles for this subproject | View all 118 journal articles for this center

Supplemental Keywords:

computational toxicology, toxicogenomics, bioinformatics, toxicoinformatics, proteomics, metabonomics, physiomics, cytomics, genomics, transcriptomics, enviroinformatics, cheminformatics, biologically based dose-response modeling, cross-species extrapolation, risk assessment,, Health, Scientific Discipline, ENVIRONMENTAL MANAGEMENT, Risk Assessments, Biochemistry, Biology, Risk Assessment, ecological risk assessment, risk, computational toxicology, toxicology, biopollution, environmental risks, chemical composition, human exposure, toxicologic assessment, bioinformatics, biochemical research, human health risk

Progress and Final Reports:

Main Center Abstract and Reports:

R832721 New Jersey Research Center for Environmental Bioinformatics and Computational Toxicology

Subprojects under this Center: (EPA does not fund or establish subprojects; EPA awards and manages the overall grant for this center).
R832721C001 Development and Application of the DORIAN (Dose-Response Information Analysis) System
R832721C002 Hepatocyte Metabolism Model for Xenobiotics
R832721C003 Development of Computational Tools for Optimal Identification of Biological Networks
R832721C004 Cheminformatics Tools for Toxicant Characterization
R832721C005 Optimization Tools for In Silico Structural Proteomics

Top of Page

The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Conclusions drawn by the principal investigators have not been reviewed by the Agency.