IUCLID

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Volume: 2

June 2007IUCLID 5 has been developed by the European Commissionin association with the OECD

IUCLID 5Guidance and support

Getting Started

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LEGL !"#ICENeither the European Commission nor any person

acting on behalf of the Commission is responsible for the use which mightbe made of the following information

! wealth of additional information on the European Unionis available on the Internet

It can be accessed through the Europa "erver#http$%%europaeu&

' European Communities( )**+,eproduction is authorised provided the source is ac-nowledged

Printed in Italy

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Getting Started with IUCLID 5

Getting started - Sample session for beginners

This Getting Started manual is an excerpt from the IUCLID 5 End User Manual, chapter C To re!ie" an# references to chapters other than chapter C, see the full manual

1. Introduction to sample session

The guidance gi!en in this Getting Started manual aims at assisting the no!ice IUCLID user to set up the application and use it immediatel# "ithout ha!ing to read thedetails pro!ided "ith the full !ersion of the IUCLID 5 End User Manual first The references to specific chapters of the full !ersion are intended as hints for "here to findmore details This session is $ased on the follo"ing parts%

The First steps wizard which guides you through the different steps involved to setting up your application so that you can use it iediately! see

chapter" Starting IUCLID 5! First steps wizard#

$ self%tutorial saple session which guides you through the ost coon features needed for handling a Su&stance dataset' which is the central core

of inforation in IUCLID# This session is su&divided into the following chapters!

( Creating a dataset for a Su&stance and assigning a )eference su&stance

* Copleting a Su&stance dataset

*#+ ,ntering-editing data in sections + to (

*#" ,ntering-editing data in sections * to +(

5 .rinting the Su&stance dataset

/ Creating a Dossier

0 ,1porting the Su&stance dataset

2 Iporting the Su&stance dataset

+

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3 4aing annotations

3#+ $nnotating raw data

3#" $nnotating a Dossier

+6 Logging out

$ nu&er of real e1aples are presented in this hands%on session# These e1aples were taen fro different pu&lished datasets' &ut are not necessarily

related to the saple su&stances used# In this respect' all e1aples should &e considered as fictitious#

Note

The hands%on e1aples ay not &e relevant for your particular su&ission# 7onetheless' it can &e helpful to carry out these self%tutorial

e1ercises to get ac8uainted with the IUCLID functionality in general#

2. Starting IUCLID 5: irst steps !i"ard

9hen you start IUCLID for the first tie' after installing it on your coputer' a First steps wizard will coe up' which guides you through the different steps

involved to setting up your application so that you can use it iediately# If the IUCLID application and your user account have &een set up &y your

adinistrator' you can sip this chapter# $ny user%related settings can also &e ade using the features descri&ed in the IUCLID 5 ,nd User 4anual chapter

D#+/ 4anage Users' )ole' .references etc#' although for soe of the SuperUser rights are re8uired :see the IUCLID 5 ,nd User 4anual chapter D#+/#"#+

Difference &etween SuperUser and ;SuperUser; attri&ute

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the for of a IUCLID e1port file :for ore inforation' see the IUCLID 5 ,nd User 4anual chapter D#3#"#+ Creating an ;official; Legal

entity

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(# The First steps wizard coes up with general inforation in Step +# Clic the Next&utton

*

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*# Step "! If you have not changed the default password of the SuperUser to a ore secure password' the traffic light in the wizard screen will &eyellow# Select the Change SuperUser passwordchec&o1' type the old password ;root; and then type the new password# Clic the Next

&utton#

5

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5# Step (! Select the iport file for the Legal entity :see introductory rears a&ove< and then clic the Next&utton# The Legal entity will &e iported

iediately#

Important

7ote that you have to iport at least one Legal entity in order to succeed with this wizard# If you have no Legal entity in the IUCLID

syste' the traffic light in the wizard screen will &e red# The First steps wizard will &e autoatically launched when you log in

IUCLID' until a Legal entity has &een successfully iported#

/

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/# Step *! Select the file for the ,C inventory :see introductory rears a&ove

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0# Step 5! Select the file for the )eference su&stance inventory :seeintroductory rears a&ove

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2# Step /! Create a new user account and assign a role to this user' which defines the user@s access rights to the data# It is necessary to create a new useras woring with the SuperUser is not supported#

Select the Create userchec&o1#

Fill in all fields# The user needs a Login namefor identification during login# The Full nameis used for proper user identification# The

Assigned roleis needed to adinistrate the access perissions :in a newly installed IUCLID 5 the roles ;$dinistrator;' ;Full access;

and ;)ead%only; are provided &y default

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Aptionally' clic Set password and define a password#

Clic and highlight a role in the list of unassigned roles and assign it to the user &y clicing the )ight arrow# $ssigning a )ole is needed to

adinistrate the access perissions :in a newly installed IUCLID' the roles ;$dinistrator;' ;Full access; and ;)ead%only; are availa&le &y

default

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3# Step 0! If you have selected an ,C Inventory and-or )eference su&stances inventory file:s< during the wizard steps' you can now run the iports#

Clic the Execute imports&utton# 7ote again that these iports ay tae up to several hours' depending on your achine speed and the aount of

data you are iporting#

Then clic the Finish&utton# If you have launched any iports' you will now have to wait until the iports are copleted# $fterwards' you should

++

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log out and then log in again as a user for the newly defined account :ree&er! woring as SuperUser is not supported

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Note

$n inventory of ca# 06'666 )eference su&stances listed in the ,C inventory can &e downloaded fro the IUCLID we& site and

iported into your IUCLID syste#

Su&stance dataset! This is the central core of inforation in IUCLID# It contains all data related to a cheical su&stance lie the cheical identity

including the su&stance coposition' inforation on anufacture' use and e1posure' inforation on the classification and la&elling' and all re8uiredand availa&le endpoint study suaries# $ Su&stance dataset is the repository of data' which is used to create a Dossier for the su&ission su&stance#

See the IUCLID 5 ,nd User 4anual chapter D#* Su&stance :Create and update su&stance related inforation< #

9hen a Su&stance dataset is created for a given cheical su&stance' it is assigned to a )eference su&stance' which in turn is &ased on the ,C Inventory or' if

not listed' newly defined# The difference &etween the :su&ission< su&stance after which a Su&stance dataset is naed and the assigned )eference su&stance

is &riefly e1plained &ased on the following e1aples of :i< a ono%constituent su&stance and :ii< a ulti%constituent su&stance!

Diethyl pero1ydicar&onate!

)eference su&stance E Diethyl pero1ydicar&onate as listed in ,C inventory' with the following identifiers! ,C "(2%060%(' C$S +*///%02%5'

C/+6A/

Su&ission su&stance E e#g# Diethyl pero1ydicar&onate' i#e# naed after the )eference su&stance as ain constituent' &ut includes

isododecane as sta&ilizing agent and' hence' an additive together with ipurities which need to &e specified in section 1.2 Composition# The

typical concentration of diethyl pero1ydicar&onate in this su&stance is "" with an upper liit of "0#

4i1ture of +'*%diethyl&enzene' +'"%diethyl&enzene and +'(%diethyl&enzene!

)eference su&stance E 4i1ture of +'*%diethyl&enzene' +'"%diethyl&enzene and +'(%diethyl&enzene' with the following identifiers! ,C

"+5%5(5%0' C$S +((6%"6%0' C2+6

Su&ission su&stance E e#g# 4i1ture of +'*%diethyl&enzene' +'"%diethyl&enzene and +'(%diethyl&enzene' i#e# naed after )eference

su&stance as ain constituents' &ut with identification of all these constituents' i#e# +'*%diethyl&enzene :(6%*6

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Workflow

The creation of a Su&stance dataset and copletion of sections + to ( includes the following worflow!

Launch the 7ew Su&stance feature and define the Su&stance nae and the Legal entity owner#

$ssign a )eference su&stance to the Su&stance dataset#

In case of a newly created )eference su&stance' switch to the corresponding record and assign the respective identity fro the ,C inventory to that

)eference su&stance coplete other identifier fields#

Switch &ac to the Su&stance#

Coplete sections +' " and ( as appropriate#

Step-by-step guideThe following step%&y%step guide is illustrated &y screenshots &ased on fictitious saple data#

+# Select the coand New Substanceeither fro the IUCLID Tas panel or the File enu on the 4enu &ar#

"# The Su&stance wizard coes up and guides you through following steps!

,nter the user%defined nae of the Su&stance and clic the Next&utton#

+*

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(# Select the Legal entity fro the drop%down list and clic the Finish&utton# :7ote! Use the Legal entity defined for your copany or' if not availa&le

yet' any other availa&le Legal entity created at the IUCLID we& site :i#e# ;official; Legal entity' L,A

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5# To assign a )eference su&stance' clic the &utton Add reerence&utton in field Reference substance:see the screenshot a&ove

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/# If a new )eference su&stance has &een created' an ,C inventory and-or other identifiers should &e defined as follows!

Switch to the )eference su&stance feature &y clicing the !oto&utton to the very right#

+0

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0# $n epty )eference su&stance record appears#

2# To assign the corresponding ,C inventory identity' if availa&le' press the Add reerence&utton to the very right and in the Buery dialogueappearing' search for the su&stance and clic the Assign&utton# :7ote! If data entry is loced' clic the Edit&utton on the tool&ar#erify or change the default properties' for which the records

shall &e e1ported' specify output path' file nae and other options' and clic the Finish&utton#

For ore inforation' see the IUCLID 5 ,nd User 4anual chapter D#*#0#+* ,1porting ,ndpoint study records #

. Importing t(e Substance dataset

The tutorial in this chapter shows how to iport a coplete Su&stance dataset or individual records#

/0


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.rere8uisite is that you have a IUCLID e1port file stored on your coputer' e#g# as created in the preceding e1ercise :see chapter C#0 ,1porting the

Su&stance dataset

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The $nnotations feature can &e found on the $nnotations ta& of the Inforation window' which is provided ust &elow the Data entry window' as shown in

the following screenshot!

/3


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06


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Tip

Hou can iniise - a1iise the Inforation window &y clicing the respective Minimise or Maximise &utton in the upper right corner

of the title &ar of this window#

$n annotation record consists of the following three ta&s!

Data! Constitutes the actual annotation entry screen#

Inforation! Contains general technical inforation!

)ecord ID! Displays the UUID :%niversal %ni8ue I,entifier< assigned to the annotation record#

Lined record ID! Displays the UUID assigned to the record the annotation record refer to#

Lined record type! Displays the type of the lined record#

Lined record date! Displays the date of the lined record#

4odification! Shows the odification history of the current annotation docuent#

$nnotations can &e created for any IUCLID eleent# $s a general rule' the $nnotations ta& provided in the Inforation window is related to the very record

displayed in the a&ove Data entry window# This can &e the Dossier' an ,ndpoint study or suary record of any Su&stance contained in the Dossier' the

Legal entity or the Legal entity site' etc#

For ore inforation' see the IUCLID 5 ,nd User 4anual chapter D#*#3 ow to use the Inforation window #

#.1. $nnotating raw data

$lthough sections 6 to ( of a Su&stance dataset are technically handled as one record in IUCLID :see the IUCLID 5 ,nd User 4anual chapter D#*#/#+

Differences &etween sections 6 % ( and sections * % +(

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that the $nnotation teplate for ,ndpoint study records provides additional endpoint%related annotation fields#

Step-b&-step guide

To add an annotation related to the saple ,ndpoint study record

+# Find the record ;Dorgerloh :+33"

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$fter clicing the Save&utton' the annotation record is displayed in ta&le%view as follows!

#.". $nnotating a %ossier

The $nnotations feature can also &e used to ae annotations on any Dossier coponent and any record withing each coponent# $s a general rule' the

$nnotations ta& provided in the Inforation window is related to the very record displayed in the Data entry window# This can &e the Dossier' an ,ndpoint

study or suary record of any Su&stance contained in the Dossier' the Legal entity or the Legal entity site etc#

Important

$ny annotations ade on raw data are not included in Dossiers# >ice versa' any annotations ade on Dossier data are confined to the Dossier

and are not related to the corresponding raw data records#

Step-b&-step guide

First the Dossier needs to &e opened as follows!

+# Go oe to the Tas panel if you are not already there#

"# Under ,ossier ' clic 'iew# $ screen coes up with epty windows on the right side and a Query resultspane on the left :&elow the title &ar

Navigation< showing all Dossiers availa&le in your local IUCLID installation or the networ you are connected to#

(# Dou&le%clic the desired Dossier to display it in the Coponents pane together with all its coponents' as shown in the screenshot &elow#

0*

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To add annotations to the Dossier' open the desired Dossier coponent and navigate to the eleent where you wish to coent on# For e1aple' add an

annotation to the Dossier itself or open the Su&stance dataset' navigate to ,ndpoint record:s< and add annotations related to these records# $s to how to create

annotations see thepreceding e1ercise#

14. Logging out

To log out fro your user account or e1it IUCLID' select the respective -ogoutor Exitcoand fro the File enu#

00

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IUCLID 5 .uidance and support

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