Opening Words

Uko Maran

QSAR and REACH: Problems and Potential

David Livingstone

ChemQuest, Sandown, Isle of Wight, UK

Environmental QSAR Modeling: Where have you been, where are you going?

Alexander Tropsha

University of North Carolina at Chapel Hill, Chapel Hill, US

Deriving relationships between effects and characteristics of nanomaterials

Teresa F. Fernandes

Heriot-Watt University, Edinburgh, Scotland, UK

QSAR Investigation of the Potential Biological Activity of Functionalised Nanoparticles

E. Papa

University of Insubria, Varese, Italy

Externally Predictive QSAR Models: Thresholds of Acceptance by Various External Validation Criteria and Critical Inspection of Scatter Plots

P. Gramatica

University of Insubria, Varese, Italy

On the use of atom specific versus molecular descriptors in development of QSARs for PCBs and PCDD/Fs

P. L. Andersson

Umeå University, Umeå, Sweden

Category Formation for Respiratory Sensitisation

S. J. Enoch

Liverpool John Moores University, Liverpool, England

Computational platform for predicting reactivity profile of chemicals

C. Kuseva

University "Prof. As. Zlatarov", Bourgas, Bulgaria

Towards predictive toxicology – an industrial perspective

K. Travis

Syngenta Ltd, Jealott's Hill International Research Centre, UK

Identification of pregnane X receptor ligands by QSAR analysis and correlations with genotoxicity, endocrine disruption and teratogenicity

M. Dybdahl

Technical University of Denmark, Søborg, Denmark

Coping with Unbalanced Datasets in Modeling Oral Absorption

T. Ghafourian

Universities of Kent and Greenwich, Chatham, Kent, UK

Predicting in vivo liver genotoxicity and in vivo bone marrow micronucleus formation simulating in vivo metabolism

P. Petkov

University "Prof. As. Zlatarov", Bourgas, Bulgaria

Novel antimalarial drug candidates generated in silico by analysis of public HTS data

R.D. Clark

Simulations Plus, Inc., USA

In-silico pharmacokinetic studies on dermal exposure to coumarin and other cosmetic additives: An integrated approach to model kinetics within living systems

M. Gajewska

EC – JRC, Institute for Health & Consumer Protection, Ispra, Italy

It is all about SVM, Signatures, and Bioclipse

L. Carlsson

AstraZeneca R&D, Södertälje, Sweden

Development of a Knowledge-based System for Predicting Toxicity in Tetrahymena pyriformis

M. P. Payne

Lhasa Limited, Leeds, UK

Prioritization of chemicals according to their PBT profile

D. Georgieva

University "Prof. As. Zlatarov", Bourgas, Bulgaria

ToxML, a Data Exchange Standard with Content Controlled Vocabulary Used to Build Better (Q)SAR models

M. Ali

Lhasa Limited, Leeds, UK

Electronic organization and archiving of QSAR/QSPR model information

S. Sild

University of Tartu, Tartu, Estonia

Linking the silos: Data and predictive models integration in toxicology

Nina Jeliazkova

Ideaconsult Ltd., Sofia, Bulgaria

Online database of toxicological structure alerts

I. Sushko

eADMET GmbH, Neuherberg, Germany

Development of a Chemical Hazards Database for Risk Assessments in Food and Feed

E. Fioravanzo

S-IN Soluzioni Informatiche, Vicenza, Italy

Data series mining of toxicity data from scientific articles – from data point timelines to well curated dataset – on example of published T.Pyriformis data.

V. Ruusmann

University of Tartu, Tartu, Estonia

QSAR Modeling of Juvenoids: Successes, Failures and Prospects

J. Devillers

CTIS, Rillieux La Pape, France.

Modelling Hydrophobicity Contributions of Cationic Fragments to LogP, and Application to QSAR for aquatic toxicity to cationic surfactants

D. W. Roberts

Liverpool John Moores University, Liverpool, UK

Ecotoxicity QSARs Based on Partial Charge Descriptors

A. Furuhama

National Institute for Environmental Studies, Tsukuba, Japan

Screening for Low Aquatic Bioaccumulation: Applicability Domains and Prediction Confidence of the BCF Waiving Scheme

M. Nendza

Analytisches Laboratorium, Luhnstedt, Germany

QSPRs and QPPRs for developing physiologically-based pharmacokinetic models: Progress to-date and Challenges ahead

K. Krishnan

Université de Montréal, Canada

An integrated model for ready biodegradability for regulatory use

E. Benfenati

Istituto di Ricerche Farmacologiche Mario Negri, Milano, Italy

Improving uncertainty assessment of QSAR models: the impact of experimental error on individual predictions

C. Tebby

METO, INERIS, Verneuil en Halatte, France.

Consensus Prediction of Toxicity for large and structurally diverse datasets

T. Martin

U.S. Environmental Protection Agency, Cincinnati (OH), USA

Predicting Mixture Toxicity

S. Dimitrov

University "Prof. As. Zlatarov", Bourgas, Bulgaria

Use of Read-Across in Filling Data Gap for Assessments

N. Aptula

Safety and Environmental Assurance Centre, Unilever, England

Read-Across Model to Predict the Octanol/Water Partition Coefficient

R. Kühne

Helmholtz Centre for Environmental Research - UFZ, Leipzig, Germany

Hazard Evaluation Support System for Predicting Repeated Dose Toxicity Using Toxicological Categories

Y. Sakuratani

National Institute of Technology and Evaluation, Tokyo, Japan

Formation of Chemicals Categories for Organ-Level Toxicity Employing the Adverse Outcome Pathway Approach

M.D. Nelms

Liverpool John Moores University, Liverpool, England

Strategies for the In Silico Prediction of Liver Toxicity

M.T.D. Cronin

Liverpool John Moores University, Liverpool, England

Stratified Prediction of Drug Toxicity through 3D Liver Models

J.G. Diaz Ochoa

Insilico Biotechnology AG, Stuttgart, Germany

Predicting protein binding potency by using DPRA reactivity data

I. Popova

University "Prof. As. Zlatarov", Bourgas, Bulgaria

Drugs, Non-Drugs, and Disease Category Specificity: Organs Effects by Ligand Pharmacology

A. T. Garcia-Sosa

University of Tartu, Tartu, Estonia

The applicability of the Threshold of Toxicological Concern (TTC) to chemicals in food and cosmetics

A.P. Worth

EC - JRC, Institute for Health & Consumer Protection, Ispra, Italy

Design and Development of an Institutional Knowledge-base for Chemical Evaluation and Risk Estimation in Food Safety

K. Arvidson

US FDA CFSAN, USA

A Mode-of-Action-based QSAR approach to toxicity models implemented in Chemical Evaluation and Risk Estimation System

C. Yang

Altamira LLC, USA

Integrated Workflow to Predict Reactive Toxicity of Toxicants and Their Metabolites

J.A.H. Schwöbel

Molecular Networks GmbH, Erlangen, Germany

Best poster presentation

Integrating QSAR models into Adverse Outcome Pathways

T.W. Schultz

OECD, Environmental Health and Safety Division, Paris, France

Read-across, Structural Alert and Consensus Prediction of Acute Fish Toxicity – Opportunities for Reducing Animal Testing

G. Schüürmann

Helmholtz Centre for Environmental Research, Leipzig, Germany

Automatic knowledge extraction from chemical structures: the case of mutagenicity prediction

G. Gini

Politecnico di Milano, Milano, Italy

Tautomerism and QSAR: Implementation in OECD QSAR Toolbox

G. Poryazova

University "Prof. As. Zlatarov", Bourgas, Bulgaria

The use of QSARs under REACH after the first registration deadline

M. Valentini

European Chemicals Agency (ECHA), Helsinki, Finland

Free QSARs in Regulatory Eco/Toxicology: Feedback from Users

B. Fraysse

EquiTox, Lyon, France

Documentation of in-silico methods for regulatory issues: Practical Examples and suggestions

F. Stock

German Federal Environment Agency, Dessau-Roßlau, Germany

A quantitative weight-of-evidence approach used in decision support for safety and risk assessment

J.F. Rathman

Chemical and Biomolecular Engineering, Ohio State University, USA