The QSPR-THESAURUS: The Online Platform of the CADASTER Project

被引：12

作者：

Brandmaier, Stefan ^{[1
]}

Peijnenburg, Willie ^{[2
,3
]}

Durjava, Mojca K. ^{[4
]}

Kolar, Boris ^{[4
]}

Gramatica, Paola ^{[5
]}

Papa, Ester ^{[5
]}

Bhhatarai, Barun ^{[5
]}

Kovarich, Simona ^{[5
]}

Cassani, Stefano ^{[5
]}

Roy, Partha Pratim ^{[5
]}

Rahmberg, Magnus ^{[6
]}

Oeberg, Tomas ^{[7
]}

Jeliazkova, Nina ^{[8
]}

Golsteijn, Laura ^{[9
]}

Comber, Mike ^{[10
]}

Charochkina, Larisa ^{[11
]}

Novotarskyi, Sergii ^{[12
]}

Sushko, Iurii ^{[12
]}

Abdelaziz, Ahmed ^{[12
]}

D'Onofrio, Elisa ^{[5
,13
]}

Kunwar, Prakash ^{[13
]}

Ruggiu, Fiorella ^{[13
]}

Tetko, Igor V. ^{[12
,13
,14
]}

机构：

[1] German Res Ctr Environm Hlth GmbH, Helmholtz Zentrum Munchen, Inst Epidemiol 2, Res Unit Mol Epidemiol, Munich, Germany

[2] Natl Inst Publ Hlth & Environm, Ctr Safety Subst & Prod RIVM, Bilthoven, Netherlands

[3] Leiden Univ, Inst Environm Sci, Dept Conservat Biol, Leiden, Netherlands

[4] Natl Inst Hlth Environm & Food, Maribor, Slovenia

[5] Univ Insubria, DiSTA, QSAR Res Unit Environm Chem & Ecotoxicol, Varese, Italy

[6] IVL Swedish Environm Res Inst Ltd, Stockholm, Sweden

[7] Linnaeus Univ, Sch Nat Sci, Kalmar, Sweden

[8] IdeaConsult Ltd, Sofia, Bulgaria

[9] Radboud Univ Nijmegen, Inst Wetland & Water Res, Dept Environm Sci, NL-6525 ED Nijmegen, Netherlands

[10] Mike Comber Consulting Ltd, Brixham, Devon, England

[11] Inst Bioorgan & Petrochem, Kiev, Ukraine

[12] eADMET GmbH, Garching, Germany

[13] German Res Ctr Environm Hlth GmbH, Helmholtz Zentrum Munchen, Inst Biol Struct, D-85764 Neuherberg, Germany

[14] King Abdulaziz Univ, Fac Sci, Dept Chem, Jeddah 21413, Saudi Arabia

来源：

ATLA-ALTERNATIVES TO LABORATORY ANIMALS | 2014年 / 42卷 / 01期

关键词：

CADASTER; hazard assessment; multimedia models; online tools; fate assessment; POLYBROMINATED DIPHENYL ETHERS; ENDOCRINE-DISRUPTING ACTIVITY; DIFFERENT VALIDATION CRITERIA; QSAR CLASSIFICATION MODELS; REAL EXTERNAL PREDICTIVITY; APPLICABILITY DOMAIN; PHYSICOCHEMICAL PROPERTIES; AQUATIC TOXICITY; EXPERIMENTAL-DESIGN; ENVIRONMENTAL FATE;

D O I：

10.1177/026119291404200104

中图分类号：

R-3 [医学研究方法]; R3 [基础医学];

学科分类号：

1001 ;

摘要：

The aim of the CADASTER project (CAse Studies on the Development and Application of in Silico Techniques for Environmental Hazard and Risk Assessment) was to exemplify REACH-related hazard assessments for four classes of chemical compound, namely, polybrominated diphenylethers, per and polyfluorinated compounds, (benzo) triazoles, and musks and fragrances. The QSPR-THESAURUS website (http://qspr-thesaurus.eu) was established as the project's online platform to upload, store, apply, and also create, models within the project. We overview the main features of the website, such as model upload, experimental design and hazard assessment to support risk assessment, and integration with other web tools, all of which are essential parts of the QSPR-THESAURUS.

引用

页码：13 / 24

页数：12

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