Presentation is loading. Please wait.

Presentation is loading. Please wait.

Istituto Superiore di Sanita’. Rome Italy OpenTox Scientific Responsible: Romualdo Benigni

Published byChrystal Hutchinson Modified over 8 years ago

Similar presentations

Presentation on theme: "Istituto Superiore di Sanita’. Rome Italy OpenTox Scientific Responsible: Romualdo Benigni"— Presentation transcript:

1 Istituto Superiore di Sanita’

2 Rome Italy OpenTox Scientific Responsible: Romualdo Benigni rbenigni@iss.it

3 http://ecb.jrc.it/documents/QSAR/EUR_22772_EN.pdf

4 Toxtree 1.51 Rulebase for mutagens / carcinogens Structure-based approach consisting of: -New compilation of Structure Alerts (genotox and non-genotox) -Three mechanistically-based QSARs for congeneric classes (aromatic amines, aldehydes) Toxtree (version 1.50): http://ecb.jrc.it/qsar/qsar-tools/index.php?c=TOXTREE Manual : http://ecb.jrc.it/documents/QSAR/EUR_23241_EN.pdf

5

6 Database: ISSCAN version 2a http://www.iss.it/ampp/dati/cont.php?id=233&lang=1&tipo=7 n=890 Various sources ( DSSTox, NTP, IARC, Toxnet, SOC, EINECS ) fields : structure, names, CAS, TD50, tumor sites, carcinogenicity call, mutagenicity call Carcinogenicity / mutagenicity (Ames test) References critically reviewed Contraddicting results either resolved or rejected Small experiments not included QSAR-ready = data coded for QSAR analysis

7 http://www.iss.it/ampp/dati/cont.php?id=233&lang=1&tipo=7

8 Selected pubblications : Benigni R. (Ed) (2003) Structure-Activity Relationships (QSAR) models of mutagens and carcinogens; CRC Press, Boca Raton. Benigni R. (2005) Structure-activity relationship studies of chemical mutagens and carcinogens: mechanistic investigations and prediction approaches. Chem.Revs., 105: 1767-1800. Benigni R., C. Bossa, A. M. Richard, and C. Yang (2008) A novel approach: chemical relational databases, and the role of the ISSCAN database on assessing chemical carcinogenity. Ann.Ist.Sup.San., 44: 48-56. Benigni R., C. Bossa (2008) Predictivity of QSAR. J.Chem.Inf.Model., 48: 971-980.

Download ppt "Istituto Superiore di Sanita’. Rome Italy OpenTox Scientific Responsible: Romualdo Benigni"

Similar presentations

Structure-Activity Relationships in Toxicology: Introduction (and a case study) Part I. Romualdo Benigni Istituto Superiore di Sanita Rome.

Structure-Activity Relationships in Toxicology: Introduction (and a case study) Part I. Romualdo Benigni Istituto Superiore di Sanita Rome.
May 2012 1. 2 Beneficiary 1 : Istituto di Ricerche Farmacologiche Mario Negri Beneficiary 2 : Istituto Superiore di Sanità Beneficiary 3 : Federazione.

May Beneficiary 1 : Istituto di Ricerche Farmacologiche Mario Negri Beneficiary 2 : Istituto Superiore di Sanità Beneficiary 3 : Federazione.
THz-BRIDGE Workshop Capri, September 29 - October 2, 2002 Istituto Superiore di Sanità National Institute of Health PERCEPTION OF RISKS FROM ELECTROMAGNETIC.

THz-BRIDGE Workshop Capri, September 29 - October 2, 2002 Istituto Superiore di Sanità National Institute of Health PERCEPTION OF RISKS FROM ELECTROMAGNETIC.
Carcinogen Classification Criteria Patricia Richter Ph.D., DABT Tobacco Products Scientific Advisory Committee June 8, 2010.

Carcinogen Classification Criteria Patricia Richter Ph.D., DABT Tobacco Products Scientific Advisory Committee June 8, 2010.
Carcinogenicity prediction for Regulatory Use Natalja Fjodorova Marjana Novič, Marjan Vračko, Marjan Tušar National institute of Chemistry, Ljubljana,

Carcinogenicity prediction for Regulatory Use Natalja Fjodorova Marjana Novič, Marjan Vračko, Marjan Tušar National institute of Chemistry, Ljubljana,
Assessing Carcinogenic Potential of Chemicals Using OncoLogic Cancer Expert System Yin-tak Woo, Ph.D., DABT Office of Pollution Prevention and Toxics U.S.

Assessing Carcinogenic Potential of Chemicals Using OncoLogic Cancer Expert System Yin-tak Woo, Ph.D., DABT Office of Pollution Prevention and Toxics U.S.
Risks from Chemicals Thousands of chemicals in our environment – Many never even tested Pesticides are the 2 nd most rigorous tested products in the world.

Risks from Chemicals Thousands of chemicals in our environment – Many never even tested Pesticides are the 2 nd most rigorous tested products in the world.
Development of an Institutional Knowledge-base at FDA’s Center for Food Safety and Applied Nutrition Kirk B. Arvidson 1, Annette McCarthy 1, Chihae Yang.

Development of an Institutional Knowledge-base at FDA’s Center for Food Safety and Applied Nutrition Kirk B. Arvidson 1, Annette McCarthy 1, Chihae Yang.
McKim Workshop on Strategic Approaches for Reducing Data Redundancy in Cancer Assessment Jay R. Niemelä Technical University of Denmark National Food Institute.

McKim Workshop on Strategic Approaches for Reducing Data Redundancy in Cancer Assessment Jay R. Niemelä Technical University of Denmark National Food Institute.
Discovering Substructures in Chemical Toxicity Domain Masters Project Defense by Ravindra Nath Chittimoori Committee: DR. Lawrence B. Holder, DR. Diane.

Discovering Substructures in Chemical Toxicity Domain Masters Project Defense by Ravindra Nath Chittimoori Committee: DR. Lawrence B. Holder, DR. Diane.
3. Chemical Data and Data Bases. 2 Datasets and Databases Many small datasets are available Several commercial databases of compounds and reactions (e.g.

3. Chemical Data and Data Bases. 2 Datasets and Databases Many small datasets are available Several commercial databases of compounds and reactions (e.g.
OMICS Group Contact us at: OMICS Group International through its Open Access Initiative is committed to make genuine and.

OMICS Group Contact us at: OMICS Group International through its Open Access Initiative is committed to make genuine and.
QSAR Modelling of Carcinogenicity for Regulatory Use in Europe Natalja Fjodorova, Marjana Novič, Marjan Vračko, Marjan Tušar, National institute of Chemistry,

QSAR Modelling of Carcinogenicity for Regulatory Use in Europe Natalja Fjodorova, Marjana Novič, Marjan Vračko, Marjan Tušar, National institute of Chemistry,
Serviceability assessment according to SBRA Lucia Csóková Structural Mechanics Division Department of Civil Engineering VŠB – TU Ostrava Czech Republic.

Serviceability assessment according to SBRA Lucia Csóková Structural Mechanics Division Department of Civil Engineering VŠB – TU Ostrava Czech Republic.
June 16-19, 2015 2005 USEPA Cancer Guidelines: Mode of Carcinogenic Action 1 ICABR – Impacts of the Bioeconomy on Agricultural Sustainability, the Environment.

June 16-19, USEPA Cancer Guidelines: Mode of Carcinogenic Action 1 ICABR – Impacts of the Bioeconomy on Agricultural Sustainability, the Environment.
Graduate Research Symposium 2014William G. Lowrie Dept. of Chemical and Biomolecular Engineering Evaluating the potential toxicity of chemical compounds.

Graduate Research Symposium 2014William G. Lowrie Dept. of Chemical and Biomolecular Engineering Evaluating the potential toxicity of chemical compounds.
Institute of Biomedical Chemistry of Rus. Acad. Med. Sci.; *A.N. Sysin Institute of Human Ecology and Environmental Health of Rus. Acad. Med. Sci., Moscow,

Institute of Biomedical Chemistry of Rus. Acad. Med. Sci.; *A.N. Sysin Institute of Human Ecology and Environmental Health of Rus. Acad. Med. Sci., Moscow,
Application of Toxicology Databases in Drug Development (Estimating potential toxicity) Joseph F. Contrera, Ph.D. Director, Regulatory Research and Analysis.

Application of Toxicology Databases in Drug Development (Estimating potential toxicity) Joseph F. Contrera, Ph.D. Director, Regulatory Research and Analysis.
Committee on Carcinogenicity (COC) Approach to Risk Assessment of Genotoxic Carcinogens David H. Phillips* COC Chairman Descriptive vs. Quantitative.

Committee on Carcinogenicity (COC) Approach to Risk Assessment of Genotoxic Carcinogens David H. Phillips* COC Chairman Descriptive vs. Quantitative.
New functionalities in Toolbox 2.0. 1. Multi-document application 2. QA of chemical structures 3. Working on 2D or 2.5D mode INPUT.

New functionalities in Toolbox Multi-document application 2. QA of chemical structures 3. Working on 2D or 2.5D mode INPUT.

Similar presentations

Ads by Google