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LRI ToolBox

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LRI ToolBox Cefic Long-range Research Initiative (LRI) Programme LRI ToolBox Mini Lunchtime Seminar 3 June 2010 – PowerPoint PPT presentation

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Title: LRI ToolBox


1
LRI ToolBox Cefic Long-range Research Initiative
(LRI) Programme
 LRI ToolBox Mini Lunchtime Seminar 3 June 2010
2
The LRI Tools
  • ADEPT
  • AMBIT
  • ART
  • BCF Database
  • BiotS
  • Busy
  • CEMAS Database
  • FeDTex
  • GEMCO
  • GREAT-ER
  • IndusChemFate
  • PBPK / MEGen
  • RepDose
  • TERRACE

3
ADEPT
  • Atmospheric DEPosition and Transport model
  • Developed by Cefic LRI, TNO and WL Delft
    Hydraulics
  • Focuses on the reproduction of deposition fluxes
    of chemicals and pollutants within Europe by
    means of modelling physical and chemical
    processes
  • Main researchers
  • Dr. Michiel Roemer (TNO-MEP,NL)
  • Dr. Arthur Baart (Delft Hydraulics, NL)

4
AMBIT
  • Algebraic Manipulation by Identity Translation
  • Developed by Cefic LRI, PG, and IdeaConsult (BG)
  • A software for chemoinformatic data management
  • Stores more than 450.000 chemical structures and
    their identifiers such as CAS, Einecs, Inchi
    numbers.
  • REACH applicable PBT and analogues assessment
  • http//ambit.sourceforge.net/
  • Main researcher
  • Dr. Joanna Jaworksa (PG Eurocor, BE)

5
http//ambit.sourceforge.net/euras/
6
ART
  • Advanced REACH Tool
  • Developed by Cefic LRI and TNO, HSL, IOM, BAuA,
    NRCWE and Utrecht University.
  • A mechanistic and Bayesian model of inhalation
    exposure
  • Facilitates higher tier exposure assessment under
    REACH guidance
  • Simple, easy-to-use, cost-effective
  • An ART training module is currently under
    development
  • http//www.advancedreachtool.com/
  • Main researcher Dr. Erik Tielemans (TNO, NL)

7
http//www.advancedreachtool.com/
8
BCF Database
  • A quality screened fish Bio-Concentration Factor
  • Developed by Cefic LRI and EURAS
  • A gold standard database
  • Linked with the relational database AMBIT for
    further (Q)SAR and alternative testing
    development
  • http//ambit.sourceforge.net/euras/
  • Main researcher Dr. Bram Versonnen (EURAS, BE)

9
BiotS
  • Biotransformation Susceptibility software
  • Developed by Cefic LRI and CSL
  • A standalone desktop application with a graphical
    user interface (GUI) in Java version 5
  • Designed to identify whether a query chemical may
    be suscebtible to biotransformation/metabolism in
    aquatic organisms
  • Supplied in an installation file
  • Main researcher Dr. Alistair Boxall (CSL, UK)

10
Busy
  • Bayesian Uncertainty System
  • A Mathematica Package for Bayesian, Risk and
    Second-Order Distributions
  • Developed by Cefic LRI and IRAS
  • A tool for probabilistic uncertainty analysis in
    environmental risk assessment of chemicals
  • http//busymath.googlepages.com
  • Main researcher Dr. Tom Aldenberg (RITOX, NL)

11
http//busymath.googlepages.com
12
CEMAS Database
  • Chemical Exposure Management and Assessment
    System
  • Developed by Cefic LRI, IOM, Utrecht University
    and the University of Aberdeen
  • A Database for Workplace Exposure Measurements 
  • Handles Inhalation and Dermal exposure samples
  • http//www.cemas.org/
  • Main researcher Dr. John Cherrie (IOM, UK)

13
FeDTex
  • Fertility and Developmental Toxicity in
    Experimental Animals
  • Developed by Cefic LRI and Fraunhofer ITEM.
  • Uses structure- and risk-based methods to
    identify endocrine disrupting chemicals under
    REACH
  • Addresses reproductive toxicity including one-,
    two- and three-generational studies.
  • FeDTex database is currently under construction
  • Main researcher Dr. Inge Mangelsdorf (Fraunhofer
    ITEM, DE)

14
GEMCO
  • Generic Estuary Model for COntaminants
  • Developed by Cefic LRI, Deltares, IFREMER and IVM
  • Designed to predict the environmental
    concentrations associated with chemical
    production, use and disposal
  • Contains more than 50 input parameters related to
    the description of the hydraulics, geometry,
    emission and the chemical and environmental
    conditions
  • Main researcher Ir. Leo Postma (Deltares, NL)

15
GREAT-ER
  • Geography-referenced Regional Exposure Assessment
    Tool for European Rivers
  • Developed by Cefic LRI, INTEVATION (DE) and
    Cranfield University 
  • A model for environmental risk assessment and
    management of chemicals in river basins
  • Designed for use at a post-screening level under
    REACH and the EU Water Framework Directive (WFD)
  • More than 8.000 visits in 2010!
  • www.great-er.org
  • Main researcher Dr. Frank Koormann (Intevation,
    DE)

16
www.great-er.org
17
IndusChemFate
  • A newly developed PBTK model for the derivation
    of human biomonitoring equivalent guidance values
    (BEGV) for multiple (data-poor) chemicals
  • Under development by Cefic LRI and IndusTox
  • A first tier or screening tool that requires a
    minimum of input data
  • A software tool in MS- Excel
  • Presentation of the tool and expert panel at
    Cefic on 22 June 2010.
  • Main researcher Dr. Frans Jongeneelen (IndusTox,
    NL)

18
PBPK / MEGen
  • Model Equation Generator
  • Developed by Cefic LRI and HSL
  • A 'proof of concept' intuitive user interface for
    the rapid generation and analysis of PBPK models
  • Enables the user to describe physiology, biology
    and toxicology in order to output a set of
    mathematical equations
  • More than 245 registered users from 40 countries
  • http//xnet.hsl.gov.uk/megen
  • Main researcher Dr. George Loizou (HSL, UK)

19
http//xnet.hsl.gov.uk/megen
20
RepDose
  • Relational database on subacute to chronic
    toxicity
  • Developed by Cefic LRI and Fraunhofer ITEM
  • A relational database on experimental NOEL/LOEL
    values
  • Contains quality-assured data on subacute to
    chronic toxicity from nearly 2300 studies on 655
    chemicals
  • Useful in preparing dossiers and classifying
    compounds under REACH and GHS
  • 116 registered users only in 2010
  • www.fraunhofer-repdose.de
  • Main researcher Dr. Inge Mangelsdrof (ITEM, DE)

21
www.fraunhofer-repdose.de
22
TERRACE
  • Terrestrial Runoff Modelling for Risk Assessment
    of Chemical Exposure
  • Developed by Cefic LRI, Cranfield University and
    the University of Durham
  • A state-of-the-art tool for better prediction of
    concentrations of chemicals in waters entering
    river systems 
  • Uses a Geographical Information System (GIS) 
  • Provides outputs of Predicted Environmental
    Concentrations (PECs) for use in risk assessment
    of chemical exposure
  • Main researcher Dr. Sue White (Cranfield
    University, UK)

23
LRI Toolbox Whats next?
  • Organize by areas (REACH, eco, human etc.)
  • Categorize by
  • QA
  • Regulatory acceptance
  • Ease of use
  • Support
  • Applicability
  • Expand LRI tools/
  • same purpose ORCHESTRA,
    OPENTOX
  • Dissemination

24
Contact
  • Dr. Bruno Hubesch
  • Long-Range Research Initiative (LRI)
  • Programme Manager
  • bhu_at_cefic.be
  • 322-6767492
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