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Registration, Evaluation, Authorisation and Restriction of Chemical substances (REACH) – electronic support system Bc. Kryštof Dibusz Institute of Chemical Technology, Prague Applied Informatics in Chemistry email: [email protected]

Bc. Kry š tof Dibusz Institute of Chemical Technology, Prague Applied Informatics in Chemistry

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Bc. Kry š tof Dibusz Institute of Chemical Technology, Prague Applied Informatics in Chemistry email: dibuszk @vscht.cz. Registration, Evaluation, Authorisation and Restriction of Chemical substances (REACH) – electronic support system. Introductory outline. REACH review Why REACH? - PowerPoint PPT Presentation

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Page 1: Bc. Kry š tof Dibusz Institute of Chemical Technology, Prague Applied Informatics in Chemistry

Registration, Evaluation, Authorisation and Restriction of Chemical substances (REACH) – electronic support system

Bc. Kryštof Dibusz

Institute of Chemical Technology, Prague

Applied Informatics in Chemistry

email: [email protected]

Page 2: Bc. Kry š tof Dibusz Institute of Chemical Technology, Prague Applied Informatics in Chemistry

Introductory outline

• REACH review

• Why REACH?

• Electronic support system

– development

– features

• Conclusion & future plans

Page 3: Bc. Kry š tof Dibusz Institute of Chemical Technology, Prague Applied Informatics in Chemistry

REACH review

• Most important EU chemical Regulation

• Equally applied in all 27 EU member states

• Entered into force – June 1, 2007

• Protect human health and environment

• REACH procedures

• Costs (€2.3 billion) & Benefits (€50 billion)

Page 4: Bc. Kry š tof Dibusz Institute of Chemical Technology, Prague Applied Informatics in Chemistry

Why REACH?

• Most important EU chemical Regulation

• Huge – 300 pages

• Available only in PDF or HTML

• Difficult information retrieval

– time = money

• REACH Online system – features

Page 5: Bc. Kry š tof Dibusz Institute of Chemical Technology, Prague Applied Informatics in Chemistry

REACH transformation

• From invalid HTML to valid XML

• XSLT, Python – regular expressions

• Result XML document

– 15,000 lines

– structured (Titles, Chapters, Articles)

– annexes

Page 6: Bc. Kry š tof Dibusz Institute of Chemical Technology, Prague Applied Informatics in Chemistry

REACH Online – development

• Python – OOP language

• Django – Python web framework

– platform independent

– database independent

• SQLite3 – SQL database engine

– single file

– portable

Page 7: Bc. Kry š tof Dibusz Institute of Chemical Technology, Prague Applied Informatics in Chemistry

REACH Online – features

• Search – full-text, compound

• Related articles cross references

• Interactive table of contents

• On-line / Off-line version (installation wizard)

• User friendly design

Page 8: Bc. Kry š tof Dibusz Institute of Chemical Technology, Prague Applied Informatics in Chemistry
Page 9: Bc. Kry š tof Dibusz Institute of Chemical Technology, Prague Applied Informatics in Chemistry
Page 10: Bc. Kry š tof Dibusz Institute of Chemical Technology, Prague Applied Informatics in Chemistry
Page 11: Bc. Kry š tof Dibusz Institute of Chemical Technology, Prague Applied Informatics in Chemistry
Page 12: Bc. Kry š tof Dibusz Institute of Chemical Technology, Prague Applied Informatics in Chemistry
Page 13: Bc. Kry š tof Dibusz Institute of Chemical Technology, Prague Applied Informatics in Chemistry

Conclusion

• Transformation into electronic form

• REACH Online system

• Market gap

• Additional search – Smiles, InChI

• Lingual version (Czech)

Page 14: Bc. Kry š tof Dibusz Institute of Chemical Technology, Prague Applied Informatics in Chemistry

Thank you for your attention

• Supervisor: Ing. Miloslav Nič, PhD.