IUCLID:  An Information Management Tool for Existing Chemicals and Biocides

Heidorn, Christian; Rasmussen, Kirsten; Hansen, B.; Ole, Norager; Remi, Allanou; Seynaeve, Rene; Stefan, Scheer; Kappes, Dag; Bernasconi, Roberta

doi:10.1021/ci0202786

Cited by 22 publications

(2 citation statements)

References 3 publications

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“…Besides the well-established databases Beilstein and Gmelin, there are many specialized numerical databases available, for example in the field of thermodynamics, safety, and toxicity (RTECS, , EINECS, − HSDB, , etc. ), or biochemical sources such as the enzyme database BRENDA. , …”

Section: Different Aspects Of Chemoinformaticsmentioning

confidence: 99%

Basic Overview of Chemoinformatics

Engel

2006

J. Chem. Inf. Model.

133

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There is no particular point in time that determines when chemoinformatics was founded or established. It slowly evolved from several, often quite humble beginnings. Scientists in various fields of chemistry struggled with the development of computer methods which allowed them to manage the enormous amount of chemical information and to find relationships between the structure and properties of a compound. During the 1960s some early developments appeared that led to a flurry of activities in the 1970s. This review provides a general overview of basic methods in the specific fields of chemoinformatics, from encoding chemical compounds, storing and searching data in databases, to generating and analyzing these data. In addition, the chief interconnecting points of chemoinformatics applications are highlighted including the contributions of Johann Gasteiger to this field.

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Section: Different Aspects Of Chemoinformaticsmentioning

confidence: 99%

Basic Overview of Chemoinformatics

Engel

2006

J. Chem. Inf. Model.

133

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“…The testing was finalised in 2013, and the information generated was shared with the general public from 2015 onwards. The WPMN decided to share the raw data, as one of the first to do this, using the internationally recognised OECD Harmonised Templates (OHTs), which are implemented in the International Uniform Chemical Information Database (IUCLID) (OECD Webpages; Heidorn et al, 2003). The physical chemical characterisation of nanomaterials and associated methods is of particular interest to the WPMN, and goes beyond the usual characterisation of general chemicals (Rasmussen et al, 2018), as it is hypothesised that physical chemical characterisation is an important element for grouping and subsequent read-across of information (OECD, 2016d).…”

Section: Introductionmentioning

confidence: 99%

Developing OECD test guidelines for regulatory testing of nanomaterials to ensure mutual acceptance of test data

Rasmussen

Rauscher

Kearns

et al. 2019

Regulatory Toxicology and Pharmacology

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119

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The OECD Working Party on Manufactured Nanomaterials (WPMN) provides a global forum for discussion of nano-safety issues. Together with the OECD Test Guidelines Programme (TGP) the WPMN has explored the need for adaptation of some of the existing OECD Test Guidelines (TGs) and Guidance Documents (GDs) as well as developing new TGs and GDs to specifically address NM issues. An overview is provided of progress in the TGP and WPMN, and information on supporting initiatives, regarding the development of TGs for nanomaterials addressing Physical Chemical Properties, Effects on Biotic Systems, Environmental Fate and Behaviour, and Health Effects. Three TGs specifically addressing manufactured nanomaterials have been adopted: a new TG318 ″Dispersion Stability of Nanomaterials in Simulated Environmental Media”, and adaptation of TG412 and TG413 on Subacute Inhalation Toxicity: 28-Day Study/90-day Study. The associated GD39 on Inhalation Toxicity Testing has also been revised. The TGP current develops four new TGs and four GDs. One new TG and six GDs are developed in the WPMN. Six new proposals were submitted to the TGP in 2018. Furthermore, as TGs are accompanied by OECD harmonised templates (OHTs) for data collection, an outline of recently developed OHTs particularly relevant for NMs is also included.

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