IUCLID 6 webinar. Switching from IUCLID 5 to IUCLID 6 (for advanced users)

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2 IUCLID 6 webinar

3 IUCLID webinar Agenda for today What? Who? When? Introduction F. Le Goff 20 min. User management and Instance Based Security F. Le Goff 15 min. Merging IUCLID 5 databases in one IUCLID 6 database F. Le Goff 15 min. Technical tips for data migration F. Le Goff 10 min. Business tips for data migration and (REACH) dossiers completeness A. Malkia 20 min. Sending questions All participants 5-10 min. Questions and Answers session All participants ECHA Until 1pm (EEST)

4 WebEx instructions The Q&A panel You can post your questions during the entire webinar Answers will be given in the second half of the webinar and also provided in written form after the event Before the Q&A session 5-10 minutes will be left to send questions

5 WebEx instructions Recordings After the meeting, we will publish on the IUCLID 6 website: The recording of the webinar (presentations) Questions and answers (written document)

6 Introduction

7 IUCLID 6 website

8 IUCLID 6 website News

9 IUCLID 6 website Download The following softwares are available for download IUCLID 6 Desktop (64-bit by default) IUCLID 6 Desktop (32-bit) IUCLID 6 Server IUCLID 6 migration tool (including IUCLID 5 corrector tool)

10 IUCLID 6 website Support

11 IUCLID 6 website IUCLID 6 product

12 IUCLID 6 website IUCLID 6 product

13 IUCLID 6 update process IUCLID 6 maintenance and service releases will be made available with an updater The updater will also back-up existing installations (if the database is on a separate server, it will have to be backed-up separately) The updater will also support the rollback to the state prior to the update in case of issues Stop server (IUCLID 6 and GlassFish) Back-up of the server files Upgrade of server files Server restart

14 IUCLID 6 and ECHA s submission tools REACH-IT

15 IUCLID 6 and ECHA s submission tools R4PB 3

16 Modernised interface New technological platform IUCLID 6 New format Advanced security IUCLID format update (OHTs, use and exposure, etc.) Annotation inventory Plug-ins redeveloped Simplification of user interface and key functions Not available yet Test material inventory New help system 16

17 IUCLID 6 format update Updated and new OECD Harmonised Templates Improvement of substance identity reporting Assessment entities Test material information Update of use & exposure information (OHT)

18 IUCLID 6 format Dataset content Section 1: Substance identification Composition(s) Section 3: manufacture, use and exposure Section 3.2: Estimated quantities Section 3.5: Use and exposure information Sections 4-7 (OECD Harmonised templates) Section 13: assessment reports Section 14 Annex III criteria Downstream user report Inquiry Opt-out information for REACH registration

19 Simplification Desktop version installer Page 19

20 Simplification Creation of IUCLID dossiers online, in REACH-IT For CLP notifications For REACH registrations as a member of a joint submission

21 Embedded Help System (F1) IUCLID 6 functionalities How to create specific dossiers (e.g. how to create a registration dossier) Field by field help

22 Embedded Help System (F1)

23 IUCLID 6 Server version

24 IUCLID 6 Server Installation packages

25 IUCLID 6 Server The installation packages contain IUCLID 6 application Application server (GlassFish) Java 8 (JDK) for Windows IUCLID 6 migration tool (GUI and command line) IUCLID 5.6 attachment corrector tool (recommended to be run before migrating data to IUCLID 6)

26 IUCLID 6 Server Installation manual Pre-requisites Installation of the IUCLID 6 Server Checking the GlassFish server Configuration of the IUCLID 6 Server, e.g. Title of client window Database settings SSL configuration Logging configuration Instance Based Security Application monitoring Trouble shooting Migration from IUCLID 5.6

27 User management and Instance Based Security

28 IUCLID 6 Instance based security (IBS) New feature of IUCLID 6 Allows access within IUCLID 6 to be controlled per entity (e.g. substance, mixture, dossier), per user Group of users can be set-up Entities access is managed at group level Consult the IUCLID 6 User Manual for an introduction on IBS IUCLID 6 database Group A Group B User 1 User 2 User 3 User 4 User 5 User 6 User 7 User 8 User 1 User 2 Substance A Substance B Substance C Legal Entity A Legal Entity B Legal Entity C Dossier A Dossier B Dossier C Access right

29 Instance based security Can be activated on the Server version (deactivated by default)

30 Instance Based Security Group definition A group is a collection of users Groups are used to organise access to data (data are shared with groups and all users of a group will have access to the data assigned to the group)

31 Instanced Based Security Access to data Access level No access (Not shared) Read Read/Write Read/Write/Delete Access can be given to entities (e.g. dossiers, datasets, ref. sub., contacts) Access to data can be granted by Group managers Data owner

32 Instance Based Security Sharing data There are four ways of sharing data 1. On creation of an entity Using the Resources setting of the user

33 Instance Based Security Sharing data There are four ways of sharing data 1. On creation of an entity 2. On importation to IUCLID 6

34 Instance Based Security Sharing data There are four ways of sharing data 1. On creation of an entity 2. On importation to IUCLID 6 3. Manually via the Share function Data can be shared by the owner or the manager of a group to which the owner belongs

35 Instance Based Security Sharing data There are four ways of sharing data 1. On creation of an entity 2. On importation to IUCLID 6 3. Manually via the Share function 4. By a change of ownership By default the data owner is the one who created or imported the data Ownership can be changed only by a Group Manager

36 Instance Based Security Bulk sharing Several datasets / entities can be selected and shared in bulk For example, sharing in bulk 424 reference substances

37 Instance Based Security Common group Special group in IUCLID 6 with IBS activated All Users belong to the Common group Sharing data with the Common group will make the data available to all users

38 Instance Based Security Access all A role can be created with the option Access all activated A user with Access all activated Is added as Group manager of all groups Has all Legal entities assigned to him Has all roles The SuperUser has Access all activated

39 Instance Based Security Example for User 3 IUCLID 6 database Group A Group B User 1 User 2 User 3 User 4 User 5 User 6 User 7 User 8 User 1 User 2 Substance A Substance B Substance C Legal Entity A Legal Entity B Legal Entity C Dossier A Dossier B Dossier C Access right

40 Instance Based Security Example for User 2 IUCLID 6 database Group A Group B User 1 User 2 User 3 User 4 User 5 User 6 User 7 User 8 User 1 User 2 Substance A Substance B Substance C Legal Entity A Legal Entity B Legal Entity C Dossier A Dossier B Dossier C Access right

41 Merging IUCLID 5 databases in one IUCLID 6 database

42 IUCLID 5 Access rights in IUCLID 5 In IUCLID 5 all the users of the same database have at least read-only access to all data The only option to restrict the access to IUCLID 5 data to some users is to create different IUCLID 5 databases and servers IUCLID 5 database A IUCLID 5 database B User 1 User 2 User 3 User 4 User 5 User 6 User 7 User 8 User 1 User 2 Substance A Legal Entity A Substance B Legal Entity B Substance C Legal Entity C Dossier B Dossier A Dossier C

43 IUCLID 6 Instance based security (IBS) With Instance Based Security, one IUCLID 6 database can be configured in a way that allows granting access to specific data per user Where several IUCLID 5 databases existed, only one IUCLID 6 database can be used Recommended for production instances where data is accessed by different business units IUCLID 6 database Group A Group B User 1 User 2 User 3 User 4 User 5 User 6 User 7 User 8 User 1 User 2 Substance A Substance B Substance C Legal Entity A Legal Entity B Legal Entity C Dossier A Dossier B Dossier C Access right

44 IUCLID 5 to IUCLID 6 migration Recommendations for merging IUCLID 5 databases into one IUCLID 6 database Two options are available in order to transfer data from IUCLID 5 to IUCLID 6 Migration using the IUCLID 5 to 6 migration tool If a IUCLID 5 document already exists in IUCLID 6 it is skipped The owner of a migrated document is SuperUser (Bulk) Export from IUCLID 5 / (bulk) import to IUCLID 6 Document overwrite mode can be set to if newer than existing The owner of an imported document is the importer In IUCLID 6, with IBS activated, the assignment of a dataset to a group can be changed by the owner a user with Access All a group manager of a group where the data is accessible

45 IUCLID 5 to IUCLID 6 migration Example IUCLID 5 database A IUCLID 5 database B A C B C User A User B

46 IUCLID 5 to IUCLID 6 migration Scenario 1: migration from IUCLID 5 Databases A and B to IUCLID 6 Scenario steps: Initialize a IUCLID 6 database and activate IBS Create groups: Group A and Group B Migrate database A, containing datasets A and C (version 1), to Group A (with accessibility R/W/D) Migrate database B, containing datasets B and C (version 2), to Group B (with accessibility R/W/D) As SuperUser: assign User A it to Group A and User B to Group B As SuperUser: assign any common documents to Common group R/W/D (otherwise common documents would not be visible to User B as only the version available in Database A was migrated)

47 IUCLID 5 to IUCLID 6 migration Scenario 1: migrations IUCLID 5 database A IUCLID 5 database B A C B C User A User B IUCLID 6 database Group A Group B

48 IUCLID 5 to IUCLID 6 migration Scenario 1: migrations IUCLID 5 database A IUCLID 5 database B A C B C User A User B First migration IUCLID 6 database Group A Group B A C User A

49 IUCLID 5 to IUCLID 6 migration Scenario 1: migrations IUCLID 5 database A IUCLID 5 database B A C B C User A User B First migration Second migration IUCLID 6 database Group A Group B A C B User A User B

50 IUCLID 5 to IUCLID 6 migration Scenario 1: migration from IUCLID 5 Databases A and B to IUCLID 6 This will allow: User A to R/W/D document A, document C_v1 User B to R/W/D document B, document C_v1 Pros: relatively fast Cons: documents (UUIDs) common to both would be taken only from Database A Advice: this can be used if there are no common documents or if the common documents can all be kept from the same database IUCLID 6 database Group A Group B A C B User A User B

51 IUCLID 5 to IUCLID 6 migration Scenario 2: migration of Database A to IUCLID 6 (followed by import of data from Database B Scenario steps Initialize a IUCLID 6 database and activate IBS Create groups: Group A and Group B Migrate database A to Group A (with accessibility R/W/D) Assign common data to Common group (with accessibility R/W/D) Export datasets from database B and import them to Group B (with accessibility R/W/D) and overwrite mode if newer than existing Create/Modify User A: assign it to Group A and User B: assign it to Group B. Assign role Full Access to both users. Assign common documents to Common group R/W/D (otherwise common documents would not be visible to User B)

52 IUCLID 5 to IUCLID 6 migration Scenario 2: migration and bulk export / import IUCLID 5 database A IUCLID 5 database B A C B C User A User B IUCLID 6 database Group A Group B

53 IUCLID 5 to IUCLID 6 migration Scenario 2: migration and bulk export / import IUCLID 5 database A IUCLID 5 database B A C B C User A User B First migration IUCLID 6 database Group A Group B A C User A

54 IUCLID 5 to IUCLID 6 migration Scenario 2: migration and bulk export / import IUCLID 5 database A IUCLID 5 database B A C B C User A User B First migration IUCLID 6 database Group A Group B A C User A

55 IUCLID 5 to IUCLID 6 migration Scenario 2: migration and bulk export / import IUCLID 5 database A IUCLID 5 database B A C B C User A User B First migration Bulk export / import IUCLID 6 database Group A Group B A C B User A User B

56 IUCLID 5 to IUCLID 6 migration Scenario 2: migration of Database A to IUCLID 6 (followed by import of data from Database B This will allow User A to R/W/D document A, document C_v2 User B to R/W/D document B, document C_v2 Pros: Overwrite mode can be selected during import of Database B content Cons: Relatively slow (export/import) IUCLID 6 database Group A Group B A C B User A User B

57 IUCLID 5 to IUCLID 6 migration Recommendations IUCLID 5 Identify carefully the data available in the different IUCLID 5 databases Identify common datasets that should be shared in IUCLID 6 IUCLID 6 Activate IBS Define your groups and users Migration If no data overlap, proceed with several migrations If data overlap, migrate the main database and import the content of the other ones (overwrite if newer)

58 Technical tips for data migration

59 Migration report Where is it located? At the end of the migration process from a IUCLID 5 database to a IUCLID 6 database, a migration report is generated For the Desktop version, using the IUCLID 6 installer, it is available in: <IUCLID 6 installation folder>\logs\installer-report.log When using the Migration tool, e.g. for the Server version migration the migration report is located in: <Migration tool folder>\logs\migration-report.log

60 Migration report How to analyse it? Your migration report can be imported in Excel The structure of the migration report is as follows: Migration rule number Document UUID Dossier UUID Observation Action

61 Migration report How to analyse it? The following migration rules are warnings, for information mainly, and can be filtered out from the report: MR0020: the contact person was missing mandatory fields and was omitted MR0032: the literature reference was missing mandatory fields and was migrated with default values MR6112: creation of a new Test material entry MR6116: a new reference substance has been created during the migration of a reference nanomaterial MR6118: a new reference substance has been created during the migration of a transformation product MR6137 / MR6138 / MR6141: the content of the <field> before migration is saved in the file <filename.txt>, attached to the migrated document MR6701: a new document has been created during the migration of a CLP alternative name request

62 Migration report How to analyse it? Using the document UUID or parent document UUID, the IUCLID records can be retrieved and verified using the quick search option in IUCLID 5 and 6

63 Migration Inventories in IUCLID 6 In IUCLID 6 new inventories have been created / updated Contacts Test materials Literature references During migration, inventory entries are created based on the available data During the update of the datasets, inventory entries can be cleaned The first Service release of IUCLID 6 will provide a replace inventory entry function Migrating a database using the export / import option allows to clean the reference substances to keep only the ones used in datasets Needed ref. sub. can be found on the IUCLID 6 website

64 Business tips for data migration and (REACH) dossier completeness

65 Transition to IUCLID 6 Transition to the new IT Tools Document available on the ECHA website, under \ Support \ Manuals For REACH registrants who have existing data in IUCLID 5 Main points of attention before and after migrating the data from IUCLID 5 to IUCLID 6 New structures Completeness

66 Transition to IUCLID 6 Document overview Other substance identifiers in section 1.1. Section 1.2 Type of composition Boundary composition (SIP) State / form of the composition Use information General changes Use type: Art. 10, Art. 17/18 Endpoint study records Updated administrative information (justification for type of information, data waiving) Test material information Reporting of read across Overall study results (section 7) Physical hazards (section 4) Endpoint summaries Assessment entity Nanomaterials Opt-out

67 Transition to IUCLID 6 Document overview Other substance identifiers in section 1.1. Section 1.2 Type of composition Boundary composition (SIP) State / form of the composition Use information General changes Use type: Art. 10, Art. 17/18 Endpoint study records Updated administrative information (justification for type of information, data waiving) Test material information Reporting of read across Overall study results (section 7) Physical hazards (section 4) Endpoint summaries Assessment entity Nanomaterials Opt-out

68 Transition to IUCLID 6 Section 1.2: Composition Type of composition picklist: legal entity composition (default) boundary composition (Substance identification profile, SIP) composition generated upon use other: Section 1.2 Composition record

69 Transition to IUCLID 6 Substance identification profile - SIP The collectively agreed boundaries of the substance in scope of a registration The glue between registrant-specific compositions and the jointly provided hazard data, C&L, PBT assessment Registrant 1 composition Registrant 2 composition Registrant 3 composition Registrant 4 composition Boundaries: Constituents Impurities, additives Concentrations Forms Other description Data package: Hazard information Hazard assessment PBT assessment C&L

70 Transition to IUCLID 6 Section 1.2: Composition NEW: Substance identification profile must be provided in section 1.2 of the lead registrant dossier The SIP may correspond to one or several IUCLID compositions (boundary composition) Extracted to the REACH-IT joint submission page

71 Transition to IUCLID 6 Section 1.2: Composition State/form moved from section 2.1 GHS Description of composition, must be provided for complex substances Justification for deviations Recommended: verify migration result and ensure proper description of UVCB manufacturing process. Section 1.2 Composition record

72 Transition to IUCLID 6 Section 3.5: Use and exposure information Each life cycle stage is a sub-section Each use is a separate record (can be copied, exchanged) Section on exposure scenarios merged with 3.5 One section 3.5.X record stores information of one use and the related contributing scenarios

73 Transition to IUCLID 6 Section 3.5: Use and exposure information Use information Existing information migrated Each use must contain at least one contributing activity for the environment (ERC) and one for workers/consumers (PROC/PC/AC) Technical function and indication of subsequent service life must be provided Exposure scenarios are not subject to completeness check Recommended: review use description, especially life cycle stage, transparently reflect actual situation Section Use at industrial sites record M M M M M

74 Transition to IUCLID 6 Endpoint study record: Data waiving Section endpoint study record Endpoint always to be given Justifications now structured; migration (M) will select other: and add IUCLID 5 information in free text. Recommended: Review justifications and use standard phrases when available Provide additional information (crossreference etc.) Do not merge waiving and study information in the same record M M M

75 Transition to IUCLID 6 Endpoint study record: Justification for type of information New field, always to be given in endpoint study records that document: A (Q)SAR The outcome of a read-across A testing proposal on vertebrate animals Free-text templates No migration Recommended: use the field also to provide supporting information for other cases (further justification for data waiving, justification for why study on vertebrates was used as last resort) Section endpoint study record

76 Transition to IUCLID 6 Endpoint study record: test material information (TMI) Test material information is now a separate object in IUCLID Picklist referring to section 1 removed Centralised maintenance of the TMI record fill in once and link Structured, based on reference substances Linking from record Accessible under inventories

77 Transition to IUCLID 6 Endpoint study record: test material information (TMI) TMI records automatically created through migration from IUCLID 5 information. Reference substances linked to Composition table based on IUCLID 5: Picklist referring to section 1 Identifiers provided in Test material identity table Mapping to reference substances in section 1.1, 1.2 and IUCLID migration tool. Duplicates removed during migration Each KS and WoE record must have a TMI with at least one reference substance (EC/CAS/IUPAC)

78 Transition to IUCLID 6 Endpoint study record: reporting of read-across In IUCLID 6, reporting of analogue read-across to be done with two records: source and target Source record is the intact experimental study on source material (Type of information = experimental study) Target record is the outcome of applying readacross (Type of information = read-across) Target records are only checked for information relevant to read-across outcome Administrative data, justification Target material Result Migration will keep existing read-across endpoint study records as they are and completeness check will not enforce their reworking. But recommendable to revise when feasible. Manual: How to prepare registration and PPORD dossiers Relevant information Endpoint study record Source record Target record Administrative data X X Endpoint X X Type of information X X Adequacy of study X X Robust study summary Used for classification Used for SDS Study period X - Reliability X - Rationale for reliability incl. deficiencies X - Data waiving - - Justification for data waiving - - Justification for type of information X X Attached justification X X Cross-reference X X Data source X - Materials and methods X - Test materials X X Result and discussion X X Overall remarks, attachments X X Applicant s summary and conclusion X X X X

79 Transition to IUCLID 6 Support Dossier preparation manuals Integrated in IUCLID 6 help system Available on ECHA website (Support \ manuals)

80 Transition to IUCLID 6 Support Dossier preparation manuals Integrated in IUCLID 6 help system Available on ECHA website (Support \ manuals) Technical background document Available on ECHA website (Support \ manuals)

81 Transition to IUCLID 6 Support Dossier preparation manuals Integrated in IUCLID 6 help system Available on ECHA website (Support \ manuals) Technical background document Available on ECHA website (Support \ manuals) Validation assistant Integrated in IUCLID 6 Largely used by registrants in the past

82 Transition to IUCLID 6 Support Dossier preparation manuals Integrated in IUCLID 6 help system Available on ECHA website (Support \ manuals) Technical background document Available on ECHA website (Support \ manuals) Validation assistant Integrated in IUCLID 6 Largely used by registrants in the past ECHA Helpdesk echa.europa.eu/contact/helpdeskcontact-form

83 Questions and answers Please send your questions for the next 5-10 minutes, using the Q&A panel

84 Questions and answers

85 More information echa.eu iuclid.eu iuclid6.echa.europa.eu oecd.org/ehs/templates

86 Thank you for your participation