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Getting Started
Volume: 2
June 2007
IUCLID 5 has been developed by the European Commission in association with the OECD
LEG L !"#ICE Neither the European Commission nor any person acting on behalf of the Commission is responsible for the use which might be made of the following information ! wealth of additional information on the European Union is available on the Internet It can be accessed through the Europa "erver #http$%%europa eu&
' European Communities( )**+ ,eproduction is authorised provided the source is ac-nowledged Printed in Italy
The First steps wizard which guides you through the different steps involved to setting up your application so that you can use it i chapter " Starting IUCLID 5! First steps wizard#
ediately! see
$ self%tutorial sa ple session which guides you through the ost co on features needed for handling a Su&stance dataset' which is the central core of infor ation in IUCLID# This session is su÷d into the following chapters!
( Creating a dataset for a Su&stance and assigning a )eference su&stance * Co pleting a Su&stance dataset
5 .rinting the Su&stance dataset / Creating a Dossier 0 ,1porting the Su&stance dataset 2 I porting the Su&stance dataset
3 4a5ing annotations
+6 Logging out
$ nu &er of real e1a ples are presented in this hands%on session# These e1a ples were ta5en fro different pu&lished datasets' &ut are not necessarily related to the sa ple su&stances used# In this respect' all e1a ples should &e considered as fictitious#
Note
The hands%on e1a ples 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#
Important
This wizard helps to define a user account' which is a prere8uisite to wor5 with the application# This is not possi&le when logging in with the SuperUser account that is provided as ad inistrator account &y default# =efore running this wizard' a5e sure that at least the Legal entity infor ation of your Co pany-organisation is stored on your co puter in
"
ore infor ation' see the IUCLID 5 ,nd User 4anual chapter D#3#"#+ Creating an ;official; Legal ended to have the following files stored on your .C
Following infor ation can also &e uploaded at a later stage' &ut it is strongly reco already when you run this wizard!
,C Inventory :for details' see the IUCLID 5 ,nd User 4anual chapter D#+" Inventory :>iew ,C Inventory related infor ation< Inventory of )eference su&stances :for details' see the IUCLID 5 ,nd User 4anual chapter D#++ )eference su&stance :Create and update )eference su&stance related infor ation<<
Note
If you want to launch the wizard co ands# anually' log in as ;SuperUser; and fro the File enu select the Administrative tools and Initialise
To set up your IUCLID application for the first ti e and create a user account suita&le for every day wor5 and to assure that the installation was perfor ed correctly' follow these steps! +# Start IUCLID &y clic5ing the respective icon on your des5top
"# 9hen starting the application for the first ti e' the only user availa&le is the ad inistrator' na ed ;SuperUser;# Log in as ad inistrator &y entering the following :case%sensitive?< na es!
(# The First steps wizard co es up with general infor ation in Step +# Clic5 the Next &utton
*# 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 &e yellow# Select the Change SuperUser password chec5&o1' type the old password ;root; and then type the new password# Clic5 the Next &utton#
5# Step (! Select the i port file for the Legal entity :see introductory re ar5s a&ove< and then clic5 the Next &utton# The Legal entity will &e i ported i ediately#
Important
7ote that you have to i port 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 auto atically launched when you log in IUCLID' until a Legal entity has &een successfully i ported#
/# Step *! Select the file for the ,C inventory :see introductory re ar5s a&ove<# The ,C Inventory will not &e i ported i ediately# The i port will start at the end of the First steps wizard# Depending on your achine speed and the size of the inventory' this i port ay ta5e so e ti e' i#e# up to half an hour#
0# Step 5! Select the file for the )eference su&stance inventory :see introductory re ar5s a&ove<# The )eference su&stance inventory will not &e i ported i ediately# The i port will start at the end of the first steps wizard together with the ,C Inventory i port# Depending on your achine speed and the size of the inventory' this &ul5 operation ay ta5e a very long ti e# The )eference su&stance inventory itself ay ta5e up to several hours for i port?
Note
If you do not wish to i port the co plete )eference su&stances inventory into your IUCLID syste ' individual )eference su&stances files are availa&le for download at the IUCLID we& site#
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 user as wor5ing with the SuperUser is not supported#
Select the Create user chec5&o1# Fill in all fields# The user needs a Login name for identification during login# The Full name is used for proper user identification# The Assigned role is needed to ad inistrate the access per issions :in a newly installed IUCLID 5 the roles ;$d inistrator;' ;Full access; and ;)ead%only; are provided &y default<#
,nter a Login name' as it should &e used for identification during login' and the Full name used for proper user identification#
Aptionally' clic5 Set password and define a password# Clic5 and highlight a role in the list of unassigned roles and assign it to the user &y clic5ing the )ight arrow# $ssigning a )ole is needed to ad inistrate the access per issions :in a newly installed IUCLID' the roles ;$d inistrator;' ;Full access; and ;)ead%only; are availa&le &y default<#
Tip
It is reco ended to create a User with the ;$d inistrator; )ole regardless of whether a stand alone or a distri&uted version of IUCLID is set up# Ance a User has &een created' the IUCLID $d inistrator :in case of a distri&uted version< can define different other User:s< and assign different )ole:s< to the :see the IUCLID 5 ,nd User 4anual chapter D#+/#+ .rinciples of ad inistration tools for user settings <#
$ssign a Legal entity :nor ally the Legal entity i ported in the third step of this wizard< &y clic5ing the green plus &utton and perfor ing a search for the desired Legal entity# In the Buery field Legal entity name' enter the na e of the desired Legal entity or an asteris5 :C< as wildcard and clic5 the Search &utton# In the Buery results list' clic5 the desired entry and then clic5 the Assign &utton# Aptionally' select default attach ent and i port-e1port directories# These settings can &e ade at a later stage as descri&ed in the IUCLID 5 ,nd User 4anual chapter D#+/#5 Feature ;User .references;! Dow to set User .references # Clic5 the Next &utton
+6
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 i ports# Clic5 the Execute imports &utton# 7ote again that these i ports ay ta5e up to several hours' depending on your achine speed and the a ount of data you are i porting# Then clic5 the Finish &utton# If you have launched any i ports' you will now have to wait until the i ports are co pleted# $fterwards' you should
++
log out and then log in again as a user for the newly defined account :re e &er! wor5ing as SuperUser is not supported<#
Introduction
In IUCLID' there are three i portant parts related to the identification of a Su&stance!
,C Inventory! This is the che icals identifiers catalogue which is centrally anaged and provided &y the ,uropean Co Che icals $gency# The IUCLID feature ,C Inventory allows &rowsing this catalogue' provided it was downloaded fro the IUCLID 5 ,nd User 4anual chapter D#+" Inventories :>iew Inventory related infor ation< #
)eference su&stance inventory! This is a local inventory anaged and upgraded &y the users on their IUCLID installations as appropriate# See the IUCLID 5 ,nd User 4anual chapter D#++#+ )eference su&stance inventory # +"
Note
$n inventory of ca# 06'666 )eference su&stances listed in the ,C inventory can &e downloaded fro i ported into your IUCLID syste #
Su&stance dataset! This is the central core of infor ation in IUCLID# It contains all data related to a che ical su&stance li5e the che ical identity including the su&stance co position' infor ation on anufacture' use and e1posure' infor ation on the classification and la&elling' and all re8uired and availa&le endpoint study su aries# $ 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 infor ation< #
9hen a Su&stance dataset is created for a given che ical 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 na ed and the assigned )eference su&stance is &riefly e1plained &ased on the following e1a ples 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$S +*///%02%5' C/D+6A/ Su& ission su&stance E e#g# Diethyl pero1ydicar&onate' i#e# na ed after the )eference su&stance as ain constituent' &ut includes isododecane as sta&ilizing agent and' hence' an additive together with i purities which need to &e specified in section 1.2 Composition# The typical concentration of diethyl pero1ydicar&onate in this su&stance is ""F with an upper li it of "0F#
)eference su&stance E 4i1ture of +'*%di ethyl&enzene' +'"%di ethyl&enzene and +'(%di ethyl&enzene' with the following identifiers! ,C "+5%5(5%0' C$S +((6%"6%0' C2D+6 Su& ission su&stance E e#g# 4i1ture of +'*%di ethyl&enzene' +'"%di ethyl&enzene and +'(%di ethyl&enzene' i#e# na ed after )eference su&stance as ain constituents' &ut with identification of all these constituents' i#e# +'*%di ethyl&enzene :(6%*6F<' +'"%di ethyl&enzene :"5% (5F<' +'(%di ethyl&enzene :"6%(6F<' and i purities :water' 5%+"F<#
+(
Workflow
The creation of a Su&stance dataset and co pletion of sections + to ( includes the following wor5flow!
Launch the 7ew Su&stance feature and define the Su&stance na e 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 )eference su&stanceG co plete other identifier fields# Switch &ac5 to the Su&stance# Co plete sections +' " and ( as appropriate# the ,C inventory to that
Step-by-step guide
The following step%&y%step guide is illustrated &y screenshots &ased on fictitious sa ple data# +# Select the co and New Substance either fro the IUCLID Tas5 panel or the File enu on the 4enu &ar#
"# The Su&stance wizard co es up and guides you through following steps!
,nter the user%defined na e of the Su&stance and clic5 the Next &utton#
+*
(# Select the Legal entity fro the drop%down list and clic5 the Finish &utton# :7ote! Use the Legal entity defined for your co pany 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<# If necessary' a new Legal entity can &e created later on and assigned to this dataset# See the IUCLID 5 ,nd User 4anual chapter D#3#" Feature ;Legal entity;! Dow to create a Legal entity <#
*# The newly created Su&stance dataset is displayed in the Data entry window and ta&s Query results and Section tree appear in the 7avigation window# In case of a s aller onitor' you ay clic5 the Minimize &utton on the 7avigation &ar :circled in the screenshot &elow< to enlarge the Data entry window#
+5
5# To assign a )eference su&stance' clic5 the &utton Add re erence &utton appearing Buery dialogue &o1' proceed as follows!
Case +! Search for the desired )eference su&stance# For e1a ple enter ;ethanol; or ;ethC; in the search field EC name and clic5 the Search &utton or press the ,nter 5ey# Case "! If the su&stance is not found' clic5 the 7ew &utton and enter an appropriate na e' e#g# ;ethanol;# Then clic5 the Finish &utton# :7ote! The )eference su&stance can also &e defined later using the corresponding feature :see the IUCLID 5 ,nd User 4anual chapter D#++#( Feature ;)eference su&stance % 7ew;! Dow to create a )eference su&stance < and assigned to this dataset#<
+/
/# 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 clic5ing the !oto &utton
+0
2# To assign the corresponding ,C inventory identity' if availa&le' press the Add re erence &utton to the very right and in the Buery dialogue appearing' search for the su&stance and clic5 the Assign &utton# :7ote! If data entry is loc5ed' clic5 the Edit &utton on the tool&ar#<
+2
3# ,C nu &er' ,C na e' C$S nu &er' 4olecular for ula and Description :if any< are auto atically entered in the )eference su&stance record# Hou ay co plete any other fields :e#g# C$S na e' IU.$C na e' Synony s' S4IL,S notation< now or later#
=y clic5ing the "ac# &utton on the tool&ar' you can then navigate &ac5 to the Su&stance dataset# The identifier fields of the assigned )eference su&stance are displayed#
+3
+6# The newly created Su&stance dataset is now related to a )eference su&stance and you can close the dataset &y clic5ing the !o $ome continue co pleting the dataset as instructed in chapter * Co pleting a Su&stance dataset#
&utton or
Tip
$lthough the )eference su&stance can &e assigned to a Su&stance any ti e' it is highly reco ended to do this right when creating the Su&stance dataset &ecause of the following reason! $s shown in chapter *#" ,ntering-editing data in sections * to +(' each ti e you create a new ,ndpoint study record' the field Test material identity is auto atically filled with the identifiers of the )eference su&stance# If the )eference su&stance is assigned later' this field will not &e auto atically updated# Instead' the su&stance identifiers would have to &e entered anually in each record#
,ntering-editing data in sections + to ( :chapter *#+< ,ntering-editing data in sections * to +( :chapter *#"<
"6
Introduction
$ IUCLID dataset is structured into +( screenshot! ain sections# 4any of these sections are further &ro5en down to su§ions as e1e plified in the following
There is a stri5ing difference as regards data entry &etween sections + % ( and sections * %+( as follows!
Sections + % (! Data are entered directly into the su§ions and all sections + to ( are physically created# Sections * %+(! Data can only &e entered into ,ndpoint study records or ,ndpoint su
This is illustrated on the user interface &y different sy &ols! any title of su§ions within sections + to ( are preceded &y a green or red leaf sy &ol ' while any record in sections * to +( is indicated &y a green &ullet # For ore infor ation see the IUCLID 5 ,nd User 4anual chapter D#*#/#+ Differences &etween sections 6 % ( and sections * % +( #
Note
Section 0 Related Information contains special infor ation on Te plates' Categories and 4i1tures and is not considered in this sa ple session for &eginners' which e1plains the features and functions that are ost co only used for editing a Su&stance dataset &ased on hands% on e1a ples#
"+
Workflow
To edit and co plete a Su&stance dataset the following wor5flow applies!
Apen the Su&stance dataset# ,1pand the section tree to display the su§ions# Custo ise the view ode' i#e# display the sections re8uired for a given regulatory progra e#
Co plete sections +' " and ( as appropriate# Co plete the ,ndpoint sections * to +( as far as re8uired#
IUCLID sections + to ( co prise general and non%endpoint infor ation# The following type of infor ation is addressed!
Section 1 General information! General infor ation on the su&stance includes its che ical identity as represented &y the associated )eference su&stance' its co position' its various &usiness relationships :identity of sponsors' suppliers or recipients and e &ers of a Ioint su& ission-consortiu <' identifiers assigned &y regulatory progra es :e#g# ),$CD registration nu &er< and other IT syste s :e#g# IUCLID * reference<' analytical infor ation and spectral data' and infor ation on product and process oriented research and develop ent :if applica&le<# For ore infor ation' see the IUCLID 5 ,nd User 4anual chapter ,#+ Section +! General Infor ation# Section 2 Classification and labelling! The classification and la&elling infor ation can &e added to this section according to the Glo&ally Dar onised Syste for Classification and La&elling :GDS< and -or according to the ,uropean Directives :/0-5*2-,,C for su&stances and +333-*5-,C for preparations< and a end ents and adoptions thereof# For ore infor ation' see the IUCLID 5 ,nd User 4anual chapter ,#" Section "! Classification and La&elling#
""
Section 3 Manufacture, use and exposure! Infor ation stored in this section includes the following! infor ation on the anufacturing ethods' esti ated 8uantities of production' i port and use' production-use sites' availa&ility in the supply chain' uses and e1posure scenarios' waste production' and che ical co pounds resulting fro the production or use of the su&stance# For ore infor ation' see the IUCLID 5 ,nd User 4anual chapter ,#( Section (! 4anufacture' Use and ,1posure #
Note
Section 6 )elated infor ation is actually not a data entry section' &ut provides eans to relate other IUCLID ele ents to a dataset or indicates any related infor ation' i#e# Te plates' 4i1tures' Categories :see the IUCLID 5 ,nd User 4anual chapter =#*#"#+ General and non%endpoint infor ation <#
Step-b&-step guide
The following step%&y%step guide is illustrated &y screenshots &ased on fictitious sa ple data# +# Select the co and %pdate Substance fro the IUCLID Tas5 panel#
"# $ screen co es up with an e pty Data entry window on the right side and a Query results pane on the left :&elow the title &ar Navigation< showing all su&stances availa&le in your local IUCLID installation or the networ5 you are connected to# Dou&le%clic5 the desired Su&stance :left ouse &utton< to open the corresponding dataset# If there is a large nu &er of Su&stances listed' run a 8uery as descri&ed in the following the IUCLID 5 ,nd User 4anual chapter D#*#(#" Buerying for a Su&stance in the Buery results pane # :7ote! Hou can also open the dataset fro the conte1t enu that co es up on right%clic5ing the Su&stance#<
"(
(# 9hen the Su&stance dataset is opened' the 7avigation window provides' ne1t to the Query results ta&' a second ta&' i#e# the Section tree# Clic5 it to switch to the Section tree pane# Get ac8uainted with following features!
Expand section tree! Clic5 the &lus sy &ol in front of any section :e#g# 1 General Information< or the arrow ne1t to the Find pane circle in the screenshot &elow< and fro the drop%down list &o1 select Expand all #
:red
"*
'iew mode selector! Clic5 the &lac5 arrow ne1t to the view ode indicator :Iust &elow the Buery-Section tree ta&s< to open a drop%down list &o1 for selecting the view ode# =y default' the view ode ;Co plete; is set# Select another ode as appropriate' e#g# ;),$CD )egistration + % +6 tonnes' standard re8uire ents;# The section tree then changes in such a way that the &oo5 sy &ols in front of the sections re8uired for such a registration or su& ission are coloured red' while the sy &ol for all optional sections re ains green# So e sections' which do not apply :i#e# &iocides%related sections< are e1cluded#
"5
*# In IUCLID section 1.1 Identification' co plete the fields under headings Role in the supply chain' Type of substance' Trade name and Contact person' as illustrated in the screenshot a&ove#
"/
Tip
Throughout the IUCLID sections' flags dialogue &o1es are provided either related to specific parts :e#g# Trade names flag and Person flag in the screenshot a&ove< or to an entire record# These dialogue &o1es have always the sa e design and include &oth the Confidentiality flag and Regulatory purpose flags' which can &e used to filter out the flagged data in su&se8uent operations such as e1porting' printing or Dossier creation# For e1a ple' set flags ;C=I; :confidential &usiness infor ation< and ;,U! ),$CD; for Trade names flag#
"0
5# 7avigate to section !" Composition &y dou&le%clic5ing the respective section title in the Section tree pane :if necessary' clic5 the Maximise &utton on the 7avigation &ar or hover the ouse directly on the divider &etween the 7avigation and the Data entry window until the pointer changes to a dou&le%headed arrow# Then clic5 and drag the line to the left or right<#
"2
/# In section !" Composition' co plete the fields in the repeata&le &loc5' which allows to specify :needed for su&stances with e#g# different i purity profiles<!
,nter the na e you wish to assign to this co position :or co position profile< and specify the typical degree of purity of the su&stance# Set the Confidentiality and-or )egulatory purpose flags related to the degree of purity if so re8uired :see the following screenshot<#
"3
Specify the constituent &y assigning the respective )eference su&stance' which is identical with that for the Su&stance in case of a ono% constituent :i#e# ethanol<# See step * :Case +< on assigning a )eference su&stance to the Su&stance in chapter ( Creating a dataset for a Su&stance and assigning a )eference su&stance# Co plete the fields Typical concentration and Concentration range in the Constituents &loc5# The field Remar#s can &e used for any relevant infor ation :e#g# for giving a &rief Iustification in case of deviation of the 26F rule for ulti%constituent su&stances<#
(6
Specify the first i purity &y assigning the respective )eference su&stance :e#g# ethanol<# See steps * and 5 on assigning a )eference su&stance to the Su&stance# =e aware to clic5 the Edit &utton on the tool&ar if the )eference su&stance record is loc5ed# Fro the )eference su&stance record go &ac5 to the $mpurities &loc5' again clic5 the Edit &utton and co plete the fields#
(+
for the &loc5s Constituents' $mpurities and-or Additi%es to record all su&stances as appropriate#
+6# Co plete any other su§ions of sections +' " and (# See guidance in the IUCLID 5 ,nd User 4anual chapter ,#+ Section +! General Infor ation ' ,#" Section "! Classification and La&elling and ,#( Section (! 4anufacture' Use and ,1posure' respectively#
IUCLID sections * to ++ are also called ;,ndpoint sections;# In this conte1t' an endpoint is ("
the physico%che ical properties of the su&stance' environ ental fate and &ehaviour' ecoto1icological infor ation' to1icological infor ation and specific infor ation :e#g# residues in food and feedingstuffs< according to a given regulatory progra e' e#g# the standard infor ation re8uire ents set out in the ,U ),$CD $nne1es >I to JI# $ IUCLID ,ndpoint section provides the container for storing ;endpoint study; data' e#g# a study on vapour pressure to &e entered in section 4. !apour pressure or a study on repeated dose to1icity :oral< to &e entered in section ".#.1 Repeated dose toxicit$% oral# The ter ;study; has a rather generic eaning in that it refers to any e1peri ental study' &ut also to an esti ation or prediction ethod including :B<S$)' read%across' weight of evidence evaluation' data waiving or any other type of infor ation &eing relevant for a given infor ation re8uire ent# For ore infor ation see the IUCLID 5 ,nd User 4anual chapter =#*#"#" Su aries of study reports and other infor ation # The collection of endpoint%related infor ation in IUCLID is &ased on su arising descriptions of full study reports# These study su aries can &e very condensed or very detailed# Dowever' a study su ary should provide sufficient infor ation to a5e an assess ent of the relevance of the study# >ery detailed study su aries are also ter ed ;ro&ust study su aries;' if they address all relevant study ite s :see the IUCLID 5 ,nd User 4anual chapter =#*#"#"#(#+ Definition of 5ey studies' supporting studies' ro&ust study su aries <# In IUCLID' study su aries are anaged using ,ndpoint study records' which are te plates with predefined fields and freete1t pro pts intended to help the user su arise a study :see the IUCLID 5 ,nd User 4anual chapter D#*#0#+ 9hat is an ,ndpoint study recordK <# ,ach ,ndpoint study record of sections * to +6 is structured into the following ain parts!
)esults and discussion Averall re ar5s' attach ents $pplicant@s su ary and conclusions
Under these headings certain data entry fields are su&su ed which are co on to all ,ndpoint study records' in addition to endpoint%specific data entry fields# =ecause any fields are only relevant for ro&ust study su aries' a syste of detail levels has &een i ple ented in IUCLID# This allows displaying
((
either only the &asic fields or all fields :see the IUCLID 5 ,nd User 4anual chapter D#*#0#/ Switching &etween display type ;&asic fields; :detail level +< and ;all fields; :detail level "<<# $l ost all IUCLID ,ndpoint study records are odelled on the so%called A,CD har onised te plates' which are standard for ats for reporting endpoint study su aries related to any type of a che ical :e#g# pesticides' &iocides' industrial che icals< :see the IUCLID 5 ,nd User 4anual chapter D#*#0#+ 9hat is an ,ndpoint study recordK <# IUCLID does not prescri&e how detailed the study su aries should &e recorded# The fields provided should &e considered as a a1i u degree of detail# Alder study reports or literature sources often do not provide the details for which any fields pro pt for on a ro&ust study su ary level# An the other hand' ore recently conducted studies and any new studies can &e su arised in a very detailed anner# )efer to the relevant guidance for the respective che ical progra e on how detailed studies need to &e su arised# In the case of e1isting IUCLID * datasets prepared in the conte1t of the A,CD Digh .roduction >olu e Che icals .rogra e' ,U )is5 $ssess ent or for other purposes' which will &e used for ,U ),$CD' a prag atic approach ay have to &e considered to avoid unnecessary additional wor5 for adIusting these datasets to the new for at in IUCLID 5#
Note
Sections 11 Guidance on safe use' 12 &iterature searc' and 13 (ssessment Reports are not used for recording endpoint study su are also related to endpoint infor ation#
Step-b&-step guide
aries' &ut
The following step%&y%step guides are illustrated &y screenshots &ased on fictitious sa ple data#
Creating an 'ndpoint stud& record
+# Apen the Su&stance dataset as instructed in *#+ ,ntering-editing data in sections + to (# "# >erify if the view (<# ode ;),$CD )egistration + % +6 tonnes' standard re8uire ents; is selected :see chapter *#+ ,ntering-editing data in sections + to
(# Clic5 the .lus sy &ol in front of section 4 )'$sical and c'emical properties to display all su&su ed su§ions# (*
the
and#
5# $ new record appears indicated &y a green &ullet # $ default record na e is generated and displayed &oth in the section tree pane and the record title&ar# This record na e consists of the section title followed &y a dot and a consecutive nu &er' e#g# ;4elting point-freezing point#66+;' as shown in the following screenshot#
(5
(/
+# Select the record in the section tree pane and either press the F" 5ey or right%clic5 the record and fro co and# "# ,dit the record na e as appropriate and then clic5 AL#
the
Tip
It can &e useful to add additional infor ation or even replace the default record na e &y infor ation that gives an overview of the value of that record on the fly# ,1a ple! ;Do el :+320<-5ey#66+; :indicates the $uthor and Hear and that the record contains a 5ey study<# For ore infor ation see the IUCLID 5 ,nd User 4anual chapter D#*#0#( )ena ing an ,ndpoint Study )ecord #
'ntering (andboo) data for section %.2 *elting point+free"ing point
This use case includes the entry of :li ited< hand&oo5 data# It is assu ed that the data are fro a trusted source and can therefore &e used as 5ey study# :7ote! )efer to the relevant guidance docu ent for the regulatory progra e as to whether hand&oo5 data are accepted to cover endpoints for physico% che ical properties#< +# The newly created record in section 4.2 Melting point*free+ing point should &e open and displayed in the Data entry window# If not' dou&le%clic5 the record in the Section tree#
Tip
$ny newly created record will auto atically &e in the ,dit the tool&ar# ode# 9hen you re%open a record' you need to clic5 the Edit &utton on
"# .art ;$d inistrative Data;! co plete the appropriate fields as shown in the following screenshot!
(0
(# .art ;Data Source;! In field &loc5 Reference' clic5 the Add &utton and in the dialogue opened' select the )eference type and enter the &i&liographic reference infor ation as shown in the following screenshot# Ather fields in this part are not applica&le#
(2
ethods;! The only field that can &e co pleted in this e1a ple is the field &LP compliance#
(3
5# .art ;)esults and discussions;! In field &loc5 'elting ( free)ing point' clic5 the Add &utton and in the dialogue opened' enter the freezing point in degree Centigrade# If re8uired' repeat this procedure and enter the corresponding value in 5elvin#
/# If you continue creating another ,ndpoint study record' a dialogue will as5 you to save the
*6
Important
If you discontinue wor5ing with IUCLID for a longer ti e :i#e# ore than two hours<' it is reco ended to clic5 the Save &utton on the tool&ar to a5e sure that the data entered are saved# Atherwise a session ti eout ight occur causing IUCLID to stall# The data could then not &e saved any ore#
'ntering t(e basic data of a stud& in section ,.1.1 S(ort-term to-icit& to fis(
This use case includes the entry of the &asic data of a study in an ,ndpoint study record# It is assu ed that only li ited infor ation is availa&le fro a pu&lication and and e1ecutive su ary of a study report# =ut the study report itself is not availa&le yet# This use case is intended to de onstrate the Detail level switch' how to use &asic fields only' launching the online help' handle a co prehensive drop%down list' use a Freete1t te plate and the Undo function# +# Create a new ,ndpoint study record in section .1.1 ,'ort-term toxicit$ to fis'# "# )ena e the record to ;Dorgerloh :+33"<; (# Clic5 the Detail level &utton &elow the record title &ar and fro the enu displayed' select ;&asic fields;#
Note
$s descri&ed in the IUCLID 5 ,nd User 4anual chapter D#*#0#+ 9hat is an ,ndpoint study recordK ' IUCLID allows displaying either *+
the &asic fields only or all fields' i#e# including additional fields' which are nor ally only relevant for ro&ust study su field la&els of any additional fields are set in &lue colour' while the la&el of all &asic fields is &lac5#
aries# The
*# .art ;$d inistrative Data;! In field Study result type' select ;e1peri ental study;# In field Study period' enter ;+33+; as assu ingly indicated in the pu&lication# Ather fields are left e pty for the ti e &eing#
In field &loc5 Reference' enter the two references shown in the screenshot!
within any field via the F+ 5ey or &y clic5ing the $elp &utton
on the tool&ar#
Custo ise the size of the Delp window as appropriate :If you need to loo5 up online help for fields fre8uently' it can &e useful to position &oth the Delp window and the IUCLID screen in such a way that &oth windows are visi&le without having to switch &ac5 and forth# Dowever' the conte1t%sensitive help for each field has to &e e1plicitly evo5ed &y pressing the F+ 5ey or clic5ing the $elp &utton *"
#<
ethods;!
,nter the guideline given in the data source! Select ;according to; in the field +ualifier# Select ;other guideline; in the field &uideline' &ecause the guideline used is not listed in the pic5list' and enter ;DI7 (2*+" L+5; in the associated te1t field#
*(
Indicate that this guideline is e8uivalent to A,CD Guideline "6(! )epeat this procedure' &ut select the appropriate ite s fro shown in the screenshot &elow# Select ;yes; in the field &LP compliance#
the pic5lists as
0# .art ;Test
aterials;!
Fields related to the identity of the test aterial are filled auto atically &ased on the )eference su&stance assigned to the Su&stance dataset :see chapter ( Creating a dataset for a Su&stance and assigning a )eference su&stance<# Hou can add any additional identifiers#
Note
If the study was conducted with another than the su& ission su&stance :i#e# as identified &y the )eference su&stance< and used as read%across' you would have to update these fields accordingly#
Field *etails on test material! Clic5 the puzzle%li5e icon &elow the field la&el# In the Freete1t te plates dialogue &o1 that opens' edit the Freete1t te plate provided in such a way that only the ite ;% $nalytical purity!; is 5ept' while all other ite s are deleted# Specify as shown in the screenshot &elow# **
2# .arts ;Test organis s;' ;Study design; and ;Test conditions;! ,nter the &asic data as shown in the screenshot &elow#
Tip
In case of very co prehensive pic5lists provided in a drop%down co &o &o1' you can find the desired ite the following ethods!
Clic5 the drop%down arrow and in the pic5list that opens' clic5 into the Find pane and enter an ade8uate part of the ite # For e1a ple' ; y; will i ediately find any ite that contains this string' e#g# ;Ancorhynchus y5iss;# Hou need not use *5
Must start typing the ite of your choice in the list field# The autofill function of IUCLID will display the first entry in the list starting with the letter:s< you enter# For e1a ple' typing ;A; or ;o; will e1tend to ;Ancorhynchus gor&uscha;# 9hen you then clic5 the drop%down arrow' the first entry in the list starting with that-these letter:s< will &e displayed directly and you can find the desired ite :e#g# ;Ancorhynchus y5iss;< right away#
3# .art ;)esults and discussions;! In the field &loc5 Effect concentrations' clic5 the Add &utton and in the dialogue opened' enter the LC56 value and the para eters shown in the following screenshot!
*/
+6# .art ;Averall re ar5s' attach ents;! 7othing to add for this sa ple study# ++# .art ;$pplicant@s su te1t field# ary and conclusion;! In field ,alidity criteria fulfilled' select ;yes; and add a &rief e1planation in the related
Tip
In print%outs' the supple entary te1t field related to the list field is not separated &y any deli iter# This ight cause confusing te1t co &inations# It is therefore reco ended to include any supple entary te1t in parentheses to get it set aside fro the list ite # This is not re8uired if the pic5list ite end with a colon as for ;other!;#
*0
+"# Test the Undo function! Delete the entry in field ,alidity criteria fulfilled &y selecting the &lan5 ite # Then clic5 the %ndo &utton on the tool&ar# The previous pic5list ite will &e re%entered' &ut not the related te1t field#
Note
Using the Undo co and' the ost recent edit operations can &e undone in de onstrated with the e1a ple a&ove#
Cop&ing an 'ndpoint stud& record
Use case! To de onstrate the Copy function it is assu ed that the ,ndpoint study record prepared in the sa ple a&ove shall &e e1panded to a ro&ust study su ary' while the first draft record shall &e stored# .roceed as follows! +# )ight%clic5 the record ;Dorgerloh :+33"<; in the section tree pane and fro the enu displayed' clic5 the )opy co and#
*2
anager is opened and the copied record is displayed# &utton# The record will then appear in the section tree
(# Select and highlight the copied record in the clip&oard and clic5 the &aste selected items under the sa e na e as the orginal one#
*# )ena e one record to ;Dorgerloh :+33"<-draft :&asic data<; and the other one to ;Dorgerloh :+33"<-5ey;#
*3
Use case! )eorder records in the section tree to position the record designated as ;5ey study; first :useful in case of .roceed as follows! +# )ight%clic5 the section title .1.1 ,'ort-term toxicit$ to fis' and fro the
"# In the dialogue &o1' highlight the record designated as ;5ey study;' clic5 the Move up arrow to position it first and then clic5 *+# (# The 5ey study then appears as first record#
56
Use case! ,specially if a section contains a large nu &er of ,ndpoint study records' the 8uery - filter records# To 8uery and find a record +# Clic5 into the Find or Filter pane &elow the title &ar of the section tree pane#
"# ,nter an ade8uate part of the record na e and all records containing this search string in their na es will &e filtered out and displayed i ediately# For e1a ple' ;Dor; :without 8uotation ar5s< will select records starting with this string# ;DorC5ey; will find the record ;Dorgerloh :+33"<-5ey;#
Tip
Use wildcards :C< for any characters preceding or following a search string#
'ntering additional data for a robust stud& summar& in section ,.1.1 S(ort-term to-icit& to fis(
Use case! It is assu ed that the full study report is now availa&le and can &e used to prepare a ro&ust study su ary# This use case is intended to de onstrate the Detail level ;all fields;' the 7avigation lin5s to the ain parts of an ,ndpoint study record' the use of co prehensive Freete1t te plates' sorting of ite s in repeata&le &loc5s of fields' using a rich te1t field and uploading a predefined ta&le' and other edit functions# 5+
+# Find the record ;Dorgerloh :+33"<-5ey; in the section tree and dou&le%clic5 it to open it# "# Clic5 the Edit &utton on the tool&ar to allow editing of the record# the enu displayed' select ;all fields;#
(# Clic5 the ,etail level &utton &elow the record title &ar and fro
*# .art ;$d inistrative Data;! Co plete the field Purpose flag' select the chec5&o1 for ;ro&ust study su ary; and specify the study period in the corresponding field as shown in the following screenshot# :7ote! Fields Reliability and Rationale for reliability will &e co pleted later' when the study has &een evaluated and the ro&ust study su ary is co pleted#<
5# .art ;Test
aterials;!
$dd additional infor ation in field *etails on test material# Clic5 the Freete1t te plate icon &elow the field la&el# In the Freete1t te plates dialogue &o1 that opens' edit the Freete1t te plate provided in such a way that only the needed ite s are 5ept' while all other ite s are deleted# Specify as shown in the screenshot &elow# 5"
Field Confidential details on test material! Select the ite ;% Lot-&atch 7o#!; fro the Freete1t te plate and add data as shown in the screenshot &elow# :7ote! $ny infor ation that can &e clai ed confidential :e#g# co position' i purities' lot-&atch no#< should &e included in this field' &ecause this will allow to filter out such data fro any print%out or e1port file#< Field *etails on properties of test surrogate or analogue material! Leave this field e pty' &ecause it is only relevant in case of read%across fro another su&stance' e#g# an analogue or surrogate#
/# .art ;Test organis s;' field *etails on test organisms! Select and edit the Freete1t te plate as shown in the following screenshot#
Tip
Clic5 the %n old button on the upper right of the field to e1pand the field or the Fold button to ini ise the display area#
5(
0# .art ;Test conditions;! Co plete the fields -ardness' Test temperature' p-' *issol%ed o.ygen' and /ominal and measured concentrations as shown in the following screenshot#
5*
2# .art ;Test conditions; :cont@d<' field *etails on test conditions! Select and edit the Freete1t te plate as shown in the following screenshot#
55
3# Field Any other information on materials and methods incl! tables! Upload a predefined or other availa&le ta&le into this rich te1t field as follows!
the *pen dialogue &o1 displayed' select the file you wish to upload into the field' and then clic5 the *pen &utton#
5/
+6# .art ;)esults and discussions;! $dd additional effect concentration data in the field &loc5 Effect concentrations and details in the field *etails on results as shown in the following screenshot!
50
++# .art ;$d inistrative Data;! The fields Reliability and Rationale for reliability still need to &e co pleted &ased on the inherent 8uality of the test report or pu&lication and hence' the ade8uacy of data# .roceed as follows!
Clic5 the lin5 ;$d inistrative data; in the navigation &ar Iust &elow the title &ar to Iu p directly to that part#
Tip
Using the lin5s on the navigation &ar is particularly helpful in case of very co prehensive ,ndpoint study records or if you prefer to start editing or viewing with a particular part' e#g# ;)esults and discussion;#
Co plete the fields Reliability and Rationale for reliability as shown in the following screenshot# Clic5 the lin5 ;$pplicant@s su ary and conclusions; to Iu p to that part and proceed#
52
53
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an ,ndpoint study record with &asic fields only an ,ndpoint study record with all fields the co plete Su&stance dataset
Step-by-step guide
To print the sa ple ,ndpoint study record ;Dorgerloh :+33"<-5ey; with &asic fields only +# )ight%clic5 this record in the section tree or select the &rint co and fro the File enu#
"# The .rint assistant co es up and guides you through several steps of a self%e1planatory .rint dialogue! >erify or change the default properties' for which the record shall &e printed# In Step 5' select the detail level ;=asic level;# Specify output path' file na e and other print options' and clic5 the Finish &utton# (# Apen the ht l file fro for viewing it# aterial infor ation;#
To print this record with all fields' follow the sa e procedure' e1cept for selecting detail level ;$ll fields % including confidential test To print the co plete dataset
+# Dou&le%clic5 any record in sections 6 to (# 4a5e sure one of the su§ions is displayed in the data entry window' e#g# section 1.1 Identification# "# Select the &rint co and fro the File enu#
(# The .rint assistant co es up and guides you through several steps of a self%e1planatory .rint dialogue! >erify or change the default properties' for which the records shall &e printed' specify output path' file na e and other print options' and clic5 the Finish &utton#
/+
The following screenshot show part of the print%out of the sa ple ,ndpoint study record!
/"
/(
The co plete print%out is shown in the IUCLID 5 ,nd User 4anual chapter D#*#0#+( .rinting ,ndpoint study records#
,. Creating a Dossier
The tutorial in this chapter shows how to create a Dossier' which is very si ilar to the creation of a print%out#
Introduction
$ Dossier is a write%protected copy of the raw data stored in a Su&stance dataset# $n Awnership protection option can &e set' which prevents ,ndpoint study - su ary records provided with a Dossier fro &eing copied# This can &e relevant if a Dossier is ade availa&le to another party' &ut the su& itter does not want to allow copying ,ndpoint records# For further details' see the IUCLID 5 ,nd User 4anual chapter D#2 Dossier :create Dossier and &rowse Dossier data< #
Step-by-step guide
To create a Dossier for a Su&stance datset' follow these steps! +# Go Do e to the Tas5 panel if you are not already there# ' clic5 %pdate# the enu displayed' clic5 the )reate dossier
(# In the Query results pane' right%clic5 the desired Su&stance :i#e# the sa ple dataset< and fro co and#
*# The Create dossier assistant co es up and guides you through a several steps dialogue! >erify or change the default properties :i#e# for which the records shall &e included in the dossier<' specify specific dossier infor ation' and clic5 the Finish &utton# 5# The Dossier created appears in a new ta& of the 7avigation window' called Co ponents# ,ach co ponent of a Dossier is listed' i#e#!
/*
The Dossier title includes the Dossier te plate type' the na e of the Su&stance - )eference su&stance' the C$S 7o#' Legal entity' date and the user%defined na e# The Dossier infor ation entered during the process of Dossier creation is displayed :read%only< in the Data entry window# Hou can directly navigate to the Dossier su&Iect# See the screenshot &elow# The Dossier%related Infor ation window#
The source Su&stance dataset# The )eference su&stance referred to in the Su&stance# The Legal entity the Su&stance is assigned to#
The following screenshot shows an e1a ple of Dossier co ponents and Dossier infor ation!
/5
//
Step-by-step guide
To e1port the co plete Su&stance dataset +# Clic5 the Buery results pane if it is not already active or select the co "# Select the Su&stance dataset to &e e1ported!
the
enu displayed' clic5 the Export co and fro the File enu#
and#
(# The ,1port assistant co es up and guides you through a several steps ,1port dialogue! >erify or change the default properties' for which the records shall &e e1ported' specify output path' file na e and other options' and clic5 the Finish &utton# To e1port individual record:s< of a Su&stance dataset +# )ight%clic5 the record na e in the section tree and fro the enu displayed' clic5 the Export co and##
"# The ,1port assistant co es up and guides you through a several steps ,1port dialogue! >erify or change the default properties' for which the records shall &e e1ported' specify output path' file na e and other options' and clic5 the Finish &utton# For ore infor ation' see the IUCLID 5 ,nd User 4anual chapter D#*#0#+* ,1porting ,ndpoint study records #
/0
.rere8uisite is that you have a IUCLID e1port file stored on your co puter' e#g# as created in the preceding e1ercise :see chapter C#0 ,1porting the Su&stance dataset<# If you i port an already e1isting Su&stance dataset' any identical records will &e auto atically deselected &y default# To test the i port of a Su&stance dataset that is not yet availa&le on your IUCLID installation' you ay delete the Su&stance dataset after e1porting it :right%clic5 it in the Buery results pane and select the ,elete co and<#
Step-by-step guide
To i port a IUCLID e1port file of a Su&stance dataset +# Go Do e to the Tas5 panel if you are not already there# ' clic5 Import#
(# The I port assistant co es up and guides you through a several steps I port dialogue! Select the input path and file na eG verify or change the default properties' for which the records shall &e i ported' select-deselect all or individual records to &e i ported' and clic5 the Finish &utton# For ore infor ation' see the IUCLID 5 ,nd User 4anual chapter D#+* I port :i port data fro other IUCLID 5 syste s< #
3. *a)ing annotations
The tutorial in this chapter shows how to a5e annotations on records on the raw data level and on records provided with a Dossier#
Introduction
The $nnotations feature is pri arily designed for the use &y regulatory authorities' e#g# the ,uropean Che icals $gency or Co petent $uthorities of the 4e &er States' when evaluating the data su& itted &y the applicant# Dowever' it ay also &e used &y the Legal entity co piling a Su&stance dataset' for e1a ple' in the conte1t of the internal review process# /2
The $nnotations feature can &e found on the $nnotations ta& of the Infor ation window' which is provided Iust &elow the Data entry window' as shown in the following screenshot!
/3
06
Tip
Hou can ini ise - a1i ise the Infor ation window &y clic5ing the respective Minimise of the title &ar of this window# $n annotation record consists of the following three ta&s!
or Maximise
Data! Constitutes the actual annotation entry screen# Infor ation! Contains general technical infor ation!
)ecord ID! Displays the UUID :%niversal %ni8ue I,entifier< assigned to the annotation record# Lin5ed record ID! Displays the UUID assigned to the record the annotation record refer to# Lin5ed record type! Displays the type of the lin5ed record# Lin5ed record date! Displays the date of the lin5ed record# odification history of the current annotation docu ent#
$nnotations can &e created for any IUCLID ele ent# $s a general rule' the $nnotations ta& provided in the Infor ation window is related to the very record displayed in the a&ove Data entry window# This can &e the Dossier' an ,ndpoint study or su ary record of any Su&stance contained in the Dossier' the Legal entity or the Legal entity site' etc# For ore infor ation' see the IUCLID 5 ,nd User 4anual chapter D#*#3 Dow to use the Infor ation window #
0+
that the $nnotation te plate for ,ndpoint study records provides additional endpoint%related annotation fields#
Step-b&-step guide
To add an annotation related to the sa ple ,ndpoint study record +# Find the record ;Dorgerloh :+33"<-5ey; in the section tree and dou&le%clic5 it to open it# "# In the Infor ation window' clic5 the $nnotations ta& to access this feature#
*# In the $nnotation te plate appearing' co plete the appropriate fields' as shown in the screenshot &elow# In the fields Conclusions and E.ecuti%e summary' the su& itter@s proposal ay &e adopted or revised as appropriate# 5# Clic5 the Save or Save with comment &utton if you wish to add any co ent' which will appear in the odification history only#
0"
0(
$fter clic5ing the Save &utton' the annotation record is displayed in ta&le%view as follows!
Important
$ny annotations ade on raw data are not included in Dossiers# >ice versa' any annotations and are not related to the corresponding raw data records#
Step-b&-step guide
First the Dossier needs to &e opened as follows! +# Go Do e to the Tas5 panel if you are not already there#
"# Under ,ossier ' clic5 'iew# $ screen co es up with e pty windows on the right side and a Query results pane on the left :&elow the title &ar Navigation< showing all Dossiers availa&le in your local IUCLID installation or the networ5 you are connected to# (# Dou&le%clic5 the desired Dossier to display it in the Co ponents pane together with all its co ponents' as shown in the screenshot &elow# 0*
*# If there is a large nu &er of Dossiers listed' run a 8uery as descri&ed for Su&stances in the IUCLID 5 ,nd User 4anual chapter D#*#(#" Buerying for a Su&stance in the Buery results pane # 5# 9hen the desired Dossier has &een selected' it is displayed in the Co ponents pane together with all its co ponents' i#e#!
The Dossier title includes the Dossier te plate type' the na e of the Su&stance - )eference su&stance' the C$S 7o#' Legal entity' date and the user%defined na e# The Dossier infor ation entered during the process of Dossier creation is displayed :read%only< in the Data entry window# The Dossier%related Infor ation window including the $nnotations ta&#
The source Su&stance dataset :in bold<# The )eference su&stance referred to in the Su&stance# The Legal entity the Su&stance is assigned to#
05
0/
To add annotations to the Dossier' open the desired Dossier co ponent and navigate to the ele ent where you wish to co ent on# For e1a ple' 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# $s to how to create annotations see the preceding e1ercise#
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European Commission
IUCLID 5 .uidance and support /ol )$ .etting "tarted 0une )**+ http$%%iuclid eu