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I nternational U niform C hemica L I nformation D atabase Stefan J. Scheer Rémi Allanou

IUCLID. I nternational U niform C hemica L I nformation D atabase Stefan J. Scheer Rémi Allanou. Principles of Data Sets II Exercises. IUCLID for Joint Data Sets. Company 1 Lead Company. Company 3. Company 2. P roducer R elated P art. Chapter 1. Chapter 1. Chapter 1. Chapter 2.

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I nternational U niform C hemica L I nformation D atabase Stefan J. Scheer Rémi Allanou

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  1. IUCLID International Uniform ChemicaLInformation Database Stefan J. Scheer Rémi Allanou Principles of Data Sets II Exercises

  2. IUCLID for Joint Data Sets Company 1Lead Company Company 3 Company 2 Producer Related Part Chapter 1 Chapter 1 Chapter 1 Chapter 2 Substance Related Part Chapter... Chapter 10

  3. IUCLID for Referencing Data Sets Data Set Sent By Company 1 Data Set Sent By Company 2 Producer Related Part Chapter 1 Chapter 1 Chapter 2 Substance Related Part Chapter... Chapter 10

  4. Referencing the substance related part prepared by another company

  5. 1 2 3

  6. Integrating a template data set (prepared by another company)

  7. The flag that indicates template information

  8. Flags, Reliabilities & Order Numbers • With FLAGS you can • mark a record (to be excluded from printing / exporting) • point at a record (to be the relevant one) • mark a record as containing confidential information • attach to a record several of these marks • With ORDER NUMBERS you can • define an ordering system for printing of chapters • With RELIABILITIES you can • attach to a record your quality opinions • and subsequently include / exclude it while viewing / printing / exporting.

  9. “Freely” defined information in flags list and / or in freetexts list

  10. Freetexts CT Country ME Method RE Reference RM Remark RS Result SO Source TC Test Condition TS Test Substance AD Attached Document CL Conclusion RL Reliability

  11. Add / delete of flags / freetexts is similar to data sets The freetexts mode allows for particular functions

  12. Also a special freetexts navigator has been implemented.

  13. Practical Exercises DS2.1 [A] In your geraniol data set in chapter 1.1.1 add two freetexts of type “Source” and “Attached Document”, respectively, in which you will indicate your employer and a reference to the structural formula (which you find in your directory as geraniol_2.bmp). Add also two freetexts of type remark to your LD50 tests from chapter 5.1.1: 1. “18 hour predose fast.” 2. “48 hour observation period.” DS2.2 [A] The Ecotoxicity part of your geraniol data set has input for chapter “Tox. To Microorg., Bacteria” which has to be filled in: Type: aquatic, Species: activated sludge, Unit: mg/l, Analytical monit.: no, EC10: = 41, EC50: = 144, Method: OECD Guide-line 209 …, Year: 1992, GLP: yes, Test substance: as prescribed by 1.1 – 1.4 Add also a Word document (named “test_report.doc” in your directory) as “attached document”. DS2.3 [E] (optional) The formaldehyde (50-00-0) data set contains two bitmaps as attached documents. Search for them and make them visible!

  14. Exercises (cont.) DS2.4 [B] Referenced Data Set: Your colleague, Rossi, found out that the European Commission has already created a full data set on geraniol and therefore should rely on its own data. The creation date was 10-feb-2000. Import this data set into your system (file name: “g.exp”). Now Rossi has to edit that data set and to insert new information in the various sub-chapters of chapter 1, among which the following in the General Substance Information chapter: Purity to be equal to 95 g/l, and the colour being “yellow” only. DS2.5 [A] Rossi also has a formula image, called geraniol_1.bmp. Add the structural formula as freetext in chapter 1.1.1: it will be an “attached document”. The formula itself is in your directory (see geraniol_1.bmp) and has to be loaded from there.

  15. Exercises (cont.) • DS2.6 [B] You are working for “3M Espana, Madrid”. Create a template data set • belonging to your “Geraniol Template” created in exercise BS2.7. As comment write • “combining info on geraniol”, locked = “no”, date of today. • DS2.7 [B] Edit your templatedata set and write into chapter 4.4 the • following information (other fields remain empty): • Type: aquatic • Species: activated sludge • Unit: mg/l • Anal. Mon.: no • EC10: ca. 43 • EC50: ca. 140 • Method: OECD Guideline 209 … • Save your template data set.

  16. Exercises (cont.) DS2.8 [A] Attach template data set to data set: Create a new data set on geraniol (PRP = European Commission, creation date: today, SRP = European Commission, creation data: today) and attach the “Geraniol Template” to it. Add locked = no, comment: “take over 3M Espana data, DS2.8”. How many records have you got in sub-chapter 4.4? Check it! DS2.9 [A] Add another record to sub-chapter 4.4 with the following data: EC10: = 41 Give this record a reliability value of 2. DS2.10 [E] On 3rd October 2002 3M Corporate Toxicology, St. Paul, MN is creating a new geraniol data set referencing the Commission’s data set of exercise DS2.8: Locked = no, comment: “rely on Commission’s data”. How many records in chapter 4.4 have you got now? Check it! DS2.11 [E] Is there a way to see where the inherited record comes from?

  17. Exercises (cont.) DS2.12 [A] Create a template “FreetextCollector” and a data set for it containing three RE freetexts in chapter 1.0.4. Load the reference texts from external files “freetext1.txt”, “freetext2.txt”, and “freetext3.txt” (in your directory). Hint: you have to fill in at least one “Comment” field.

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