IUCLID course at the JRC, 1 - 2 October 2002

International Uniform

ChemicaL

Information Database

Stefan J. ScheerRémi Allanou

Principles of Data Sets II

Exercises

IUCLIDIUCLID

IUCLID course at the JRC, 1 - 2 October 2002

Chapter 1

IUCLID for Joint Data Sets

Chapter 2

Chapter...

Chapter 10

Producer Related

Part

SubstanceRelated

Part

Company 1Lead Company

Chapter 1 Chapter 1

Company 2 Company 3

IUCLID course at the JRC, 1 - 2 October 2002

Chapter 1

IUCLID for Referencing Data Sets

Chapter 2

Chapter...

Chapter 10

Producer Related

Part

SubstanceRelated

Part

Data Set Sent ByCompany 1

Chapter 1

Data Set Sent By Company 2

IUCLID course at the JRC, 1 - 2 October 2002

Referencing the substance related part

prepared by another company

IUCLID course at the JRC, 1 - 2 October 2002

IUCLID course at the JRC, 1 - 2 October 2002

IUCLID course at the JRC, 1 - 2 October 2002

1

2

3

IUCLID course at the JRC, 1 - 2 October 2002

IUCLID course at the JRC, 1 - 2 October 2002

Integrating a template data set

(prepared by another company)

IUCLID course at the JRC, 1 - 2 October 2002

The flag that indicates

template information

IUCLID course at the JRC, 1 - 2 October 2002

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 RELIABILITIES you can

• attach to a record your quality opinions

• and subsequently include / exclude it while viewing / printing / exporting.

With ORDER NUMBERS you can

• define an ordering system for printing of chapters

IUCLID course at the JRC, 1 - 2 October 2002

IUCLID course at the JRC, 1 - 2 October 2002

IUCLID course at the JRC, 1 - 2 October 2002

IUCLID course at the JRC, 1 - 2 October 2002

“Freely” defined information

in flags list and / or

in freetexts list

IUCLID course at the JRC, 1 - 2 October 2002

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

IUCLID course at the JRC, 1 - 2 October 2002

Add / delete of

flags / freetexts

is similar to data sets

The freetexts mode

allows for particular

functions

IUCLID course at the JRC, 1 - 2 October 2002

IUCLID course at the JRC, 1 - 2 October 2002

IUCLID course at the JRC, 1 - 2 October 2002

Also a special freetexts navigator

has been implemented.

IUCLID course at the JRC, 1 - 2 October 2002

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!

IUCLID course at the JRC, 1 - 2 October 2002

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.

Exercises (cont.)

IUCLID course at the JRC, 1 - 2 October 2002

Exercises (cont.)

DS2.6 [B] You are working for “3M Espana, Madrid”. Create a template data setbelonging 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 template data set and write into chapter 4.4 the following information (other fields remain empty):

Type: aquaticSpecies: activated sludgeUnit: mg/l

Anal. Mon.: noEC10: ca. 43EC50: ca. 140Method: OECD Guideline 209 …

Save your template data set.

IUCLID course at the JRC, 1 - 2 October 2002

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?

Exercises (cont.)

IUCLID course at the JRC, 1 - 2 October 2002

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.