Partners

COSMOS Partner Locations. Institute of Biophysics and Biomedical Engineering, Bulgarian Academy of Sciences, Sofia, Bulgaria. United States Food and Drug Administration, Silver Spring, MD, USA. Altamira LLC, Columbus, OH, US. School of Computing, Informatics and Media, University of Bradford, England. School of Pharmacy and Chemistry, Liverpool John Moores University, Liverpool, England. Institut National de l'Environnement Industriel et des Risques, Verneuil-en-Halatte, France. International Life Sciences Institute Europe, Brussels, Belgium. National Institute of Chemistry, Ljubljana, Slovenia. KNIME.com AG, Zurich, Switzerland. Commission of the European Communities – Directorate General, Joint Research Centre, IHCP, Ispra, Italy. S-IN Soluzioni Informatiche SRL, Vicenza, Italy. Henkel AG & Co. KGaA, Düsseldorf,Germany. Molecular Networks GmbH, Erlangen, Germany. Insilico Biotechnology AG, Stuttgart, Germany. Merck KGaA, Darmstadt, Germany.
Liverpool John Moores University, Liverpool, England.
School of Pharmacy and Chemistry, Liverpool John Moores University, Liverpool, England ... [ More ]

The Liverpool School of Pharmacy at Liverpool John Moores University is the second oldest School of Pharmacy in the United Kingdom (founded in 1849), the University itself has over 24, 000 students and is one of the largest Universities in the UK.

The QSAR and Modelling Group based within the School of Pharmacy and Biomolecular Sciences has undertaken research into in silico alternatives for over 40 years and has broad expertise in the development of in silico models for biological activity, and toxicity in particular. The researchers investigate the relationships between biological activity and the physico-chemical properties of compounds. This area includes the development of quantitative structureactivity relationships (QSARs) to predict toxicological and pharmacological as well as physico-chemical parameters.

The researchers in the QSAR and Modelling Group are dedicated to application of these methods to industrial settings and have experience of serving on various working groups and national committees including: OECD, ECB, ECVAM, US EPA, Cefic etc. They have expertise in training non-experts and experts alike in the development and application of in silico techniques for toxicity prediction, including ECB training courses, training courses on EU projects and bespoke training programmes for industry. The Group has been involved in a number of EU projects including OSIRIS, CAESAR, ReProTect, InSilicoTox, IMAGETOX, and the OECD (Q)SAR Application Toolbox.

LJMU coordinates the COSMOS project and is responsible for the day-to-day management. Other key tasks include toxicological data retrieval, curation, quality assessment and databasing as well as the development of innovative computational approaches to predict toxicity. LJMU is also leading the dissemination of results and integration of COSMOS with other projects.

Liverpool John Moores University, Liverpool, England.
Liverpool John Moores University

Commission of the European Communities – Directorate General, Joint Research Centre, IHCP, Ispra, Italy.
Commission of the European Communities – Directorate General, Joint Research Centre, IHCP, Ispra, Italy... [ More ]

The European Commission's Joint Research Centre (JRC) provides customer-driven scientific and technical support for the conception, development, implementation and monitoring of European Union (EU) policies. The Institute for Health and Consumer Protection (IHCP) is one of the JRC's seven scientific institutes and aims to protect the interests and health of the consumer in the framework of EU legislation on chemicals, food and consumer products.

Within the IHCP, the Systems Toxicology Unit includes a range of competences in computational toxicology, biostatistics, informatics, high-throughput screening and "omics". Activities are focused on the development, assessment and application of alternative (non-animal) methods for assessing the adverse effects of chemicals. Members of the unit are involved in a number of EUfunded activities including several projects in the Seurat-1 cluster, as well as working groups under the auspices of ECHA, EFSA and the OECD.

Within the COSMOS project, the JRC is coordinating the workpackage on in vitro - in vivo extrapolations, and is contributing to the development of the TTC approach, innovative approaches for toxicity prediction and PBPK modelling, as well as providing a link with the European Centre for the Validation of Alternative Methods (ECVAM), which is hosted within the IHCP.

University of Bradford Atrium.
©European Union 2011

United States Food and Drug Administration, Silver Spring, MD, USA.
United States Food and Drug Administration's Center for Food Safety and Applied Nutrition (USFDA)... [ More ]

The Center for Food Safety and Applied Nutrition (CFSAN) is one of six centers in the US Food and Drug Administration (US FDA) and is committed to the mission of promoting and protecting the public's health by ensuring that the nation's food supply is safe, sanitary, wholesome, and honestly labelled, and that cosmetic products are safe and properly labelled.

CFSAN has a strong history of construction of searchable toxicity databases dating back to the 1970s. It is also one of a few regulatory agencies employing the Threshold of Regulation paradigm and QSAR methods in the premarket review process. The team recently has embarked on the establishment of the Chemical Evaluation and Risk Estimation System (CERES) to modernise the current workflow of pre-market and post-market safety assessments for food ingredients and contact substances. This system contains a knowledgebase providing integrated toxicity and advanced scientific computing methods.

Within the COSMOS project, USFDA undertakes toxicological data harvesting, quality assessment and database construction, develops methods to extend the TTC approaches to cosmetics, disseminates results and integrates COSMOS with other US projects.

United States Food and Drug Administration, Silver Spring, MD, USA.
United States Food and Drug Administration

Henkel AG & Co. KGaA, Düsseldorf,Germany.
Henkel AG & Co. KGaA, Düsseldorf,Germany... [ More ]

Henkel, headquartered in Düsseldorf, Germany, has about 52, 000 employees worldwide and counts among the most internationally aligned German-based companies in the global marketplace. Henkel has three globally operating business sectors: Home Care (e.g. household cleaning products), Personal Care, and Adhesives, Sealants & Surface Treatment (world market leader). Henkel's cosmetic division is one of the largest of its kind in the world. The safety for human health is a prerequisite for the quality of Henkel products.

VSA–Human safety assessment (HSA) is the scientific competence and service centre of Henkel for human safety and covers all aspects of human safety assessment needed for a scientifically sound and legally compatible evaluation of raw materials and formulated products. Preferentially alternative methods are used, whenever they provide a level of protection to human health comparable to the level obtained by conventional methods. For more than two decades, Henkel has worked intensively on the development of alternative methods capable of providing the information needed without animal testing. The methods developed by Henkel since 1982 include the hen's egg test and tests on cell cultures and skin models.

Henkel-HSA contributes to the development of TTC approaches in COSMOS for endpoints relating to human repeated dose toxicity and to the selection of chemical substances relevant for cosmetic formulas.


Merck KGaA, Darmstadt, Germany.
Merck KGaA, Darmstadt, Germany... [ More ]

Merck is a global pharmaceutical and chemical company with total revenues of € 9.3 billion in 2010, a history that began in 1668, and a future shaped by more than 40, 000 employees in 67 countries. Its success is characterised by innovations from entrepreneurial employees. Merck's operating activities come under the umbrella of Merck KGaA, in which the Merck family holds an approximately 70% interest and shareholders own the remaining approximately 30%. In 1917 the U.S. subsidiary Merck & Co. was expropriated and has been an independent company ever since.

MERCK is a member of the European Federation for Cosmetic Ingredients (EFfCI). The key tasks allocated to partner Merck in the COSMOS project, to be carried out in the Molecular Modelling Laboratory at Merck, include to validate the new TTC approaches for cosmetic ingredients with test cases in collaboration with Cosmetics Europe members, to identify and implement reliable software packages that are supported over the long-term as well as to evaluate the possible use of grouping approaches for ingredients of cosmetics.

Merck KGaA, Darmstadt, Germany.
©Merck

Institut National de l'Environnement Industriel et des Risques, Verneuil-en-Halatte, France.
Institut National de l'Environnement Industriel et des Risques, Verneuil-en-Halatte, France... [ More ]

INERIS is a large public institute (with a staff of 600) whose mission is to provide scientific and technical assistance to support public decision-making and help industries to manage risks. INERIS has extensive facilities and competence in in vitro, in vivo, and in silico toxicology. INERIS has experience in participating and managing large international projects.

The research unit METO (Models for Ecotoxicology and Toxicology) undertakes research into modelling and bioinformatics. Recently the group has been involved in a number of EU projects including 2-FUN, PREDICTIV, ERAPHARM, INTARESE, NANOSAFE II, NANOFOL. Within the COSMOS project, the key tasks of INERIS include: QSAR modelling, PBPK modelling, DEB and DEBtox modelling, dissemination of results and integration of COSMOS with other projects.

Institut National de l'Environnement Industriel et des Risques, Verneuil-en-Halatte, France.
Institut National de l'Environnement Industriel et des Risques

International Life Sciences Institute Europe, Brussels, Belgium.
International Life Sciences Institute Europe, Brussels, Belgium... [ More ]

The International Life Sciences Institute (ILSI) is a nonprofit, worldwide foundation established in 1978 to advance the understanding of scientific issues relating to nutrition, food safety, toxicology, risk assessment, and the environment. By bringing together scientists from academia, government, industry, and the public sector, ILSI seeks a balanced approach to solving problems of common concern for the well being of the general public.

ILSI Europe was established in 1986 to identify and evaluate scientific issues related to the above topics through symposia, workshops, expert groups, and resulting publications. The aim is to advance the understanding and resolution of scientific issues in these areas. ILSI Europe focuses on the specific needs defined by the Institute's European partners.

ILSI-EU contributes to the COSMOS project with two expert groups set up by the TTC Task Force.


Altamira LLC, Columbus, OH, USA.
Altamira LLC, Columbus, OH, USA... [ More ]

Altamira LLC is a small company, located in Columbus, Ohio, USA with expertise in computational toxicology, QSAR, statistical and materials modelling. The Chief Scientific Officer of Altamira LLC, Dr. Chihae Yang, serves as an ORISE fellow at US FDA. Altamira LLC extensively collaborates and consults with many EU-based organisations.

Currently, Altamira LLC is developing the US FDA CERES knowledgebase, based on the threshold of toxicological concern (TTC) approach, and QSAR models to be used during pre-market reviews and post-market surveillance. Altamira LLC is also a project adviser for an EU SME for developing improved TTC approaches for EFSA. In 2007, Chihae Yang was appointed by JRC to prepare a scoping study for a computational tool for reactivity and fate, which eventually materialised as the START and CRAFT tools. She led the international LIST ToxML consortium to develop a toxicity database standard and QSAR modelling software application, funded by a US NIST ATP grant while she was the Chief Scientific Officer at Leadscope, Inc. (2000-2008).

The key tasks allocated to Altamira LLC in the COSMOS project include the coordination of the TTC work package; the construction of a public toxicity database schema and a database entry tool that will be compatible with EU projects as well as US FDA and industrial partners; the development of new methods and algorithms to extend and improve the current TTC approaches for cosmetics; the development of innovative computational approaches to predict toxicity, metabolism, and physiologically-based pharmacokinetics (PBPK) modelling for internal dose estimation; as well as the design of a TTC tool to be pipelined into the overall workflow package.


Coordination of projects on new approaches to replace current repeated dose systemic toxicity testing of cosmetics and chemicals.
Insilico Biotechnology AG, Stuttgart, Germany... [ More ]

Insilico Biotechnology, a privately-owned company, located in Stuttgart, Germany, designs and optimises biotechnological processes for the pharmaceutical and chemical industries. Successful in business since 2001, Insilico provides internationally renowned expertise and a unique systems biotechnology platform. Insilico's competitive advantage is its proven track record of producing innovative solutions and IP for customers using large-scale in silico cells and high-performance grid computing.

Insilico have participated in a number of relevant projects including HEPATOSYS – systems oriented analysis of detoxification in hepatocytes (BMBF, Germany), ZIM-HPC – application of high performance grid computing for identifying systems dynamics in large-scale networks (BMWi, Germany), and MedSys – a systems oriented approach to cell-tissue interaction (BMBF, Germany).

Insilico contributes to the COSMOS project with in silico dose-effects models at molecular level, the reconstruction and validation of a 2D in silico liver and high-performance grid computing.

Insilico Biotechnology AG, Stuttgart, Germany.
© Insilico Biotechnology AG

KNIME.com AG, Zurich, Switzerland.
KNIME.com AG, Zurich, Switzerland... [ More ]

KNIME.com is a software company supporting the open source data analytics platform KNIME both with professional support and enterprise products (server, cluster execution, reporting). KNIME.com enables corporations to use the KNIME software within a real enterprise context. Among the KNIME users are many pharma companies but also users from other areas of applications such as life sciences, bioinformatics, data analytics, business intelligence.

KNIME.com's core staff consists of the development team behind the initial KNIME platform (which was initially developed in the group of Prof. Michael Berthold at the University of Konstanz) in addition to software developers and sales/marketing specialists. The chemoinformatics development team at KNIME.com has a strong background in development of components for the integration of inhouse software projects and also the integration of other open source projects, such as the Chemistry Development Kit CDK.

The key tasks of KNIME in the COSMOS project include coordination of the integration activities work package, integration of other open source and closed source projects, assisting other partners in the development of KNIME wrappers for their own tools and dissemination of the resulting predictive workflows.

KNIME.com AG, Zurich, Switzerland.
©KNIME.com AG

Molecular Networks GmbH, Erlangen, Germany.
Molecular Networks GmbH, Erlangen, Germany... [ More ]

Molecular Networks (MN) offers innovative chemoinformatics software products, consulting, development and research services to increase the quality and productivity of discoveries in chemical, pharmaceutical and biotechnology research and development. Founded in 1997, Molecular Networks established international business relationships and its technology is utilised worldwide in major industrial and academic discovery laboratories to design and optimise chemical products and processes. Molecular Networks' product portfolio comprises a variety of software tools, databases and decision support systems for the design and the synthesis of chemical compounds and for the prediction of their chemical, physical and biological properties, their chemical reactivity and metabolic or environmental fate. The company provides maintenance and support and actively further develops its products.

Molecular Networks was founded and is headed by Prof. Johann Gasteiger of the Computer-Chemie-Centrum of the University of Erlangen-Nürnberg. Prof. Gasteiger is a pioneer of chemoinformatics in Germany and has built a unique expertise in this area over the last 30 years. This is documented in more than 250 scientific publications as well as in a book on Neural Networks in Chemistry and Drug Design as well as the first comprehensive Textbook on Chemoinformatics and a four volume Handbook of Chemoinformatics.

Molecular Networks has experience in conducting projects for public research organisations. The CRAFT, START, and METIS projects for the JRC Ispra were successfully completed recently. Molecular Networks is a consortium member of the EU FP7 funded projects eTox and Microme. The key tasks of Molecular Networks within the COSMOS project include the implementation of a data entry tool, method development for metabolism prediction, the development of a TTC software tool considering metabolism and the integration of chemoinformatics software modules for descriptor calculation, prediction of metabolism, and toxicity related (Q)SAR models.

Molecular Networks GmbH, Erlangen, Germany.
©Molecular Networks GmbH

S-IN Soluzioni Informatiche SRL, Vicenza, Italy.
S-IN Soluzioni Informatiche SRL, Vicenza, Italy... [ More ]

S-IN (Soluzioni Informatiche Srl), located near Venice, is a company that provides consultancy services and supplies customised computer-assisted solutions in life science frameworks.

S-IN was founded in 1994 by Massimo Mabilia after 10 years experience in the USA and UK as a researcher and consultant in the fields of molecular modelling and chemoinformatics. The S-IN team currently comprises about 12 people who provide highly-qualified support in the fields of chemistry and toxicology. The main expertise lies in computational chemistry, computational toxicology, chemoinformatics, bioinformatics, and databasing – e.g., data analysis, data mining, (quantitative) structureactivity relationships ((Q)SAR), and modelling – as well as technical and scientific knowledge on the use of in silico approaches for predicting physico-chemical properties of chemical compounds.

S-IN is involved in a number of contracted research projects under the auspices of the European Food Safety Authority (EFSA).

The key tasks allocated to S-IN in the COSMOS project include the coordination of the work package on in silico toxicity predictions, the development of innovative computational approaches to predict toxicity and the optimisation of in silico methods, such as (Q)SAR and readacross, for the purpose of long-term toxicity prediction of cosmetic ingredients.

S-IN Soluzioni Informatiche SRL, Vicenza, Italy.
S-IN Soluzioni Informatiche SRL.

Institute of Biophysics and Biomedical Engineering, Bulgarian Academy of Sciences, Sofia, Bulgaria.
Institute of Biophysics and Biomedical Engineering, Bulgarian Academy of Sciences, Sofia, Bulgaria... [ More ]

The Institute of Biophysics and Biomedical Engineering (CBME-BAS) is a unit of the Bulgarian Academy of Sciences – the biggest and most active research organisation in Bulgaria. CBME-BAS has activities in quantitative structure-activity relationships and molecular modelling (QSAR-MM), biomedical signal processing and analysis, biomedical informatics, analysis and modelling excitability of biological structures, as well as modelling and optimisation of bioprocess systems.

The QSAR-MM department of the CBME-BAS was founded in 2003. Its mission is to perform theoretical and applied studies in the fields of computational pharmacology and toxicology. The members of the group are experienced in development and application of modelling approaches such as ligand- and structure-based methods for rational drug design and predicting effects of chemicals on human health and the environment. The group members have participated in more than 10 national and international research projects in this field.

Within the COSMOS project CBME-BAS contributes to the toxicological data harvesting, as well as the development of innovative computational approaches and the optimisation of existing approaches for long-term toxicity prediction of cosmetic ingredients.

Institute of Biophysics and Biomedical Engineering, Bulgarian Academy of Sciences, Sofia, Bulgaria.
Photo: Ivaylo Mihaylov

http://www.ki.si/index.php?id=117&L=1
National Institute of Chemistry, Ljubljana, Slovenia... [ More ]

The National Institute of Chemistry (NIC) is the leading research institution in the field of chemistry and related disciplines in Slovenia. Currently it has over 250 staff involved in research and teaching in three Slovenian Universities. Its research profile and modern infrastructure enables top-level scientific achievements and transfer of knowledge into the economy. NIC has a good infrastructure for organisation of workshops and meetings.

The Laboratory of chemometrics (LC) was established in 1983 and is one of 16 laboratories in the Institute. Its main task has been the development and promotion of statistical and mathematical (chemometrical) tools to users from academia, industry and regulatory bodies. In 1994 LC has included QSAR modelling into its research programme. The participation of LC in EU funded projects started in the eighties with TEMPUS and COPERNICUS, followed by the projects IMAGETOX, TRACE, IBAAC, VICIM, COST D29 and CAESAR. In the framework of EU projects LC has organised over a dozen schools, workshops and meetings at national and international level. Members of the LC also participated in workshops organised by ECB, ECVAM and IRMM.

Within the COSMOS project NIC will contribute to the dissemination of results and integration of COSMOS with other projects, in particular with the organisation of training events.

National Institute of Chemistry, Ljubljana, Slovenia.
National Institute of Chemistry

School of Computing, Informatics and Media, University of Bradford, England.
School of Computing, Informatics and Media, University of Bradford, England... [ More ]

The University of Bradford was established as a technical college in 1882 and was granted a Royal Charter in 1966, when it became the University of Bradford; currently it has more than 10, 000 students from over 110 countries. The University's core mission is "Making Knowledge Work": it provides high-quality teaching informed by internationally recognised research.

The UNIBRAD team reflects this multidisciplinary profile, and consists of staff from the Artificial Intelligence Research Group of the School of Computing, Informatics and Media (SCIM) and the Institute of Cancer Therapeutics. Research strengths include artificial intelligence, data mining, computer/mobile networks, image processing, new/digital media, also cancer therapeutics and drug target selectivity. The school has extensive national and international collaborations (also with other European Framework projects). There is a healthy and growing programme of collaborative work with industry, much of it based in knowledge transfer partnerships, and national research funding from the EPSRC and the BBSRC.

The key tasks allocated to UNIBRAD in COSMOS are the coordination of the work package on data collection and data curation, the development of computational intelligence techniques, data and model integration, and data mining tools.

University of Bradford Atrium.
University of Bradford Atrium.

NEWS HIGHLIGHTS


This is European Comission Project. Seventh Framework Programme. Cosmetics Europe, The Personal Care Association. COLIPA, The European trade association for the cosmetic, toiletry and perfumery industry.