The Help Assistant is intended to help you finding the most suitable information in this manual to use IUCLID for specific purposes. It is divided into the following two parts:
Basic and advanced information: In this part, hints are given on important IUCLID features and relevant background information.
Use cases: In this part, a number of use cases are presented, along with cross-references (i.e. links) to the chapters where you find background information and/or detailed how-to instructions.
It is highly recommended to read the instructions provided in chapters A.2 How to use this guidance document and A.3 Online Help. If you are a beginner, you can make yourself quickly acquainted with several of the most relevant IUCLID functionalities by going through the step-by-step sample session in chapter C. GETTING STARTED - Sample Session for Beginners. The chapter C.2 Starting IUCLID 5: First steps wizard can be skipped if your application has been set up already and a user account (other than the SuperUser account) has been created.
The following hints make you aware of a number of "What to know" items including tips and tricks, which are described in this manual, but may be overlooked without knowing what to look for.
Editing is only possible if you are in the Edit mode
Especially the novice user may face the situation that the user interface is locked, i.e. data entry fields cannot be edited. Be aware that this is always the case, when you open any IUCLID element or record in order to avoid inadvertent changes. You have to switch to the Edit mode by clicking the Edit button on the toolbar or selecting the Edit item command from the File menu.
Only when you just created a new Endpoint record in sections 4 to 13, the Edit mode is set automatically.
In the view mode (i.e. editing not activated or locked), all features needed to view the entire data entry fields are available. You can display the complete information if not visible by either of the following procedures:
Click the magnifying glass symbol provided in some list or text fields.
Click the Expand button provided in text areas.
Use the scroll bar in text areas if provided.
In repeatable blocks of fields displayed as table, either double-click an entry or click the View button to show the full content of the fields.
When you launch IUCLID and login into your IUCLID user account, user authentication is then tied to a session. As common in many web applications, a IUCLID session provides a timeout feature that closes the session on the server when the maximum period of inactivity has passed. Session timeouts are used for security reasons, but also to avoid resource usage on the servers needed to keep stale sessions. The default timeout for a IUCLID session is about two hours. That is, if you do not perform any server-side activity within this period of time, a time-out message will pop up indicating that you need to exit IUCLID and login again. The system already terminated the session and it is not possible to save any recent changes made that were not saved yet. Be aware that filling out data entry fields does not count as "activity" since it does not include any communication with the server. However, navigating to any IUCLID element and opening it (e.g. an Endpoint section, an Endpoint record) will reset the timer for the session timeout, even if you do not edit any data entry fields.
To avoid loss of data due to session timout click the Save button when you spend long time editing a record or when pausing the IUCLID session.
Understand the terminology
When you start working with IUCLID Substance datasets, you should get yourself familiar especially with following key terms and the principles behind:
Substance dataset and the related features Legal entity, Legal entity site and Reference substance: For a quick overview, see chapter B.4 Type of information manageable with IUCLID 5, where links to more details are provided.
Study summary, robust study summary, key study: See chapter B.4.2.2 Endpoint data (summaries of study reports and other information).
Endpoint summary: For a quick overview, see chapter B.4.2.3 Endpoint summaries.
Dossier: For a quick overview, see chapter B.4.2.4 Dossiers and other reports.
Template dataset: See chapter D.5 What is a Template dataset?.
Mixture dataset: See chapter D.7.1 What is a mixture / preparation?.
Category: See chapters D.6.1 What is a chemical category? and D.6.2 How to build a Category using IUCLID.
Context-sensitive online Help for data entry fields
Pressing the F1 key on the keyboard or clicking the Help button on the toolbar from within a data entry field will show context-sensitive help for that field (if in sections 4 to 13) or for the entire section (if in sections 1 to 3). See chapter A.3 Online Help. It is highly recommended to use this feature because often specific guidance is given on what to enter in data entry fields.
Data types available for input fields
Most data entry fields can be used in a self-explanatory way. If you are unsure, refer to the guidance given in chapter D.4.5 What data types are available for input fields and how are they used?. For example, be aware that fields with the puzzle-like icon provide Freetext template(s) for upload. These are predefined texts consisting of headings and subheadings which are intended to serve as prompts for the type of information expected. See chapter D.4.5.3.4 Freetext templates.
Supplementary text fields related to list fields
List fields of the data type List (closed+remarks) or List (open+remarks) provide a supplementary remarks field next to the drop-down list, in which you can enter any free text. With regard to print-outs, it is recommended to include any supplementary text in parentheses to get it set aside from the list item, unless the picklist item ends with a colon. See chapter D.4.5.1 List fields.
Predefined tables
In a number of Endpoint study records of sections 4 to 10, predefined tables in html format are provided for upload into rich text fields of the Material and methods part or the Results part. Use of such tables may be required by specific regulatory programmes or useful in the context of others. See chapter D.4.5.4.2 Uploading (predefined) tables.
Detail level types
Because many fields are only relevant for robust study summaries, a system of detail levels has been implemented in IUCLID. This allows to display either only the basic fields or all fields. See chapter D.4.7.6 Switching between display type "basic fields" (detail level 1) and "all fields" (detail level 2)).
Generic fields that are relevant for all Endpoint sections
In IUCLID, study summaries are managed using Endpoint study records, which are templates with predefined fields and freetext prompts intended to help the user summarise a study (see chapter D.4.7.1 What is an Endpoint study record?). Each Endpoint study record of sections 4 to 10 is structured into the following main parts: Administrative data, Data source, Material and methods, Results and discussion, Overall remarks and attachments, Applicant's summary and conclusions. Under these headings certain data entry fields are subsumed which are common to all Endpoint study records and therefore termed "generic fields", in addition to endpoint-specific data entry fields. You should get yourself familiar with the principles of the generic fields as instructed in chapter D.4.7.7 Entering or editing data in Endpoint study records.
Copying sections and Endpoint records within a dataset or from one to another dataset
IUCLID provides a powerful clipboard manager which allows to copy and paste single or several Endpoint study records or complete sections within the same dataset or to another dataset even for another substance. See chapter D.4.7.9 Copying Endpoint study records.
Records of Dossiers can also be copied and pasted in any Substance dataset. However, the copied records remain "sealed" in the target dataset and cannot be edited. This means that a recipient of a Dossier can only process (i.e. edit) Dossier data if the original raw data are made available by the dataset owner. For more information, see chapter D.8.3 Copying Dossier data.
Referencing Endpoint study records and Endpoint summary records to another Substance dataset
The IUCLID clipboard manager allows to reference Endpoint records to another Substance dataset. The referenced record originating from the source dataset is integrated, i.e. pasted in the target dataset, but is set to read-only. This can be useful, when a record is managed within another dataset permanently or temporarily, e.g. for read-across. If the link to the original record is removed (i.e. detached), the record will be fully integrated in the dataset. See chapters D.4.7.9 Copying Endpoint study records, D.4.7.10 Referencing Endpoint study records to another Substance dataset, D.4.7.11 Detaching a reference to another Substance dataset.
Where to enter data for mixtures?
The term "mixture" has different meanings in the context of substance definitions. In general, a mixture consists of two or more constituents, which are not considered as additives or impurities. Depending on whether the mixture is prepared intentionally or not, it is distinguished between:
Preparations (e.g. biocidal products), which according to the definition given in REACH are intentional mixtures of substances gained by blending of two or more constituents. The components retain their own chemical identity and properties and do not react. The composition of a preparation can be fully characterised. In IUCLID, preparations are termed as mixtures, which is in line with the terminology used in the Globally Harmonised System of classification and labelling of chemicals (GHS).
Unintentional mixtures consisting of more than one constituent as a result of the manufacturing process and/or the source. These include multi-constituent substances and complex mixtures including Unknown or Variable composition, Complex reaction products or Biological materials (UVCB substances), or process streams.
Only for the mixture type "preparation" the special IUCLID feature Mixture should be used. Mixture datasets are similar to Substance datasets, although it is not the identity of the mixture (i.e. preparation) which is linked to a Reference substance, but the identity of its components detailed in section 1.2 Composition. For more information, see chapter D.7 Mixture (Create and update mixture related information).
Unintentional mixtures are handled like any discrete substance. That is, a Substance dataset is created for a given mixture and a Reference substance is defined for that mixture as for any substance.
Using a Template dataset to "inherit" endpoint data to Substance or Mixture dataset(s)
One or more Templates can be used as containers for specific Endpoint study records and/or Endpoint summary records. When assigning such Templates to Substance or Mixture dataset(s), these records will automatically be included as referenced records in the target dataset(s). A major advantage of this approach is that the endpoint data are created and updated in one container only, but can be used in several Substance datasets. For more information, see chapter D.5 Template (create and update Template related information).
Using a Template dataset to copy endpoint data to Substance or Mixture dataset(s)
This feature offers the possibility to store useful endpoint data in one or several Templates, copy them to a Substance dataset and then modify them as needed. The model data can be complete or only partial Endpoint study / summary records. For example, it may be sensible to build a repository of sample study summaries or provide a set of endpoint study summaries where the information that applies in most cases is already filled, e.g. the standard data of the methodology according to a given test guideline. For more information, see chapter D.5 Template (create and update Template related information).
Using the Category feature
If substances are grouped into a chemical category in order to fill data gaps by read-across, trend analysis (interpolation and extrapolation) and computational methods based on SARs, QSARs or QAARs, etc., the Category feature provides tools for generating a matrix of data availability and, if necessary, different types of Dossiers. For more information, see chapter D.6 Category (create and update Category related information).
Trick: Using the matrix tools for a single Substance dataset by assigning it to a "dummy" Category
The Category feature provides a matrix of data availability, which is designed to give a rapid and easy overview of all relevant endpoints for all members of a selected Category. It also allows navigating, selecting any record for editing or creating new Endpoint records in a handy way. All these features are normally not provided for Substance datasets. However, using the following trick will give you full access to these features:
Create a "dummy" Category and assign a single Substance dataset to that Category. You can use the Substance dataset as any other dataset, but will also have the option now to open the dummy Category and use the matrix tool. You can de-assign the Substance from the Category any time.
Click either of the following use cases to receive more specific guidance thereon:
Use case 1: Compilation of available data in a Substance dataset (e.g. for the purpose of data gap analysis)
Use case 2: Migration of existing IUCLID 4 dataset(s) to IUCLID 5
Use case 3: Compilation of a Substance dataset with different parts being prepared by different persons both intramurally and extramurally
Use case 4: Compilation of Substance datasets intended to be used for a joint submission Dossier
Use case 5: Preparing Endpoint summary records
Use case 6: Internal review process: Commenting on information and study summaries compiled in a Substance dataset and revising the dataset
Use case 7: Attaching an assessment report (e.g. Chemical Safety Report) to a Substance dataset
Use case 8: Creating a Registration Dossier
Use case 9: Annotating a Dossier and exchanging annotations
Use case 10: Creating a Substance dataset and a Dossier by compiling records from several registration or submission Dossiers
This use case includes the basic work required for entering data in a Substance dataset, including (robust) study summaries if so required, non-standard information (i.e. existing data, weight of evidence evaluation, read-across from supporting substance (structural analogue or surrogate), (Q)SAR), and appropriate data waivers.
If existing datasets from the previous IUCLID 4 version are used as starting material, Use case 2 should first be considered.
A typical workflow can consist of the following steps:
Create a Substance dataset: See chapter D.4.2 Feature "Substance - New": How to create a Substance dataset.
Open the Substance dataset to edit it: See chapter D.4.3 Feature "Substance - Update": How to update (edit) a Substance dataset.
Complete sections 1 General Information (company and substance identity, composition, etc.) and 3 Manufacture, use and exposure as far as possible; see chapter D.4.6 How to manage sections 0 - 3. Note: Section 2 Classification and Labelling is normally completed when all relevant data are available.
Complete Endpoint sections 4 to 10 as far as possible and required; see chapters D.4.7 How to manage Endpoint study records in sections 4 - 13 and B.4.2.2 Endpoint data (summaries of study reports and other information). Enter (robust) study summaries that comply with the data requirements of the respective regulatory programme and any other information as appropriate.
Also non-standard information can be used to cover an endpoint
when testing does not appear scientifically necessary, e.g. in the
context of REACH. Consider specific guidance on data entry fields that
are used to document and justify the suitability of such information,
namely fields Reliability
, Rationale for
reliability incl. deficiencies
, Purpose
flag
(e.g. "key study" or "weight of evidence"),
Study result type
(e.g. "read-across from supporting
substance (structural analogue or surrogate)"), Data
waiving
(e.g. "study scientifically unjustified") and
Justification for data waiving
(e.g. "No new study
required because weight of evidence evaluation covers this endpoint
sufficiently."). See instructions in chapter D.4.7.7.1 Administrative
data.
In the case of read-across from a supporting substance (structural
analogue or surrogate) it should also be made sure that the test
material identity is indicated correctly in the fields Test
material equivalent to submission substance identity
and
Test material identity
(see chapter D.4.7.7.3 Materials and methods). If read-across
is recorded by pasting a reference to an Endpoint study record, see
instructions given in chapter D.4.7.10 Referencing
Endpoint study records to another Substance dataset. See also
guidance in chapter D.6.2.1 Use case: Read-across
based on an analogue.
If data waiving can be used and justified instead of a given standard data requirement, a separate Endpoint study record should be created to document the data waiving. This record should be positioned as first record of the section, in case there are other Endpoint study records in this section. For instructions on how to reorder records, see chapter D.4.7.8 Reordering Endpoint study records.
If a data gap has been identified requiring the documentation of a
test plan, create an Endpoint study record in the respective Endpoint
section and select "experimental study planned" in the field
Study result type
. This is equivalent to the
statement "testing proposal" in REACH or "undertaking of intended
submission" common in some legislations. In addition, provide the basic
data of the intended study in the respective fields as far as known
(e.g. Test type
, Test guideline
or
Principles of method if other than guideline
,
Species
etc.). The information provided should be
detailed enough to allow the Evaluator to make a decision on the testing
proposal. In addition to data entered in fields, you may attach further
details in the field Attached background material
.
See also chapter D.4.7.7.1
Administrative data.
Complete Endpoint section 11 Guidance on safe use based on the available information and update it as appropriate.
Complete Endpoint section 12 Literature search if applicable and update it as appropriate.
Section 13 Assessment reports is only relevant at a later stage. See Use case 7.
Endpoint summaries may be created if an endpoint is complete. See Use case 5.
This use case addresses the migration tool, including hints on potentially necessary measures for preparing the source data prior to migration and any on post-processing measures which may be required after importing the migrated data.
A typical workflow can consist of the following steps:
Prepare the IUCLID 4 dataset(s) for the intended data migration: See chapter D.17.2 Preparing for data migration.
Execute the data migration using the migration tool provided in the IUCLID Task panel and import the migrated dataset in IUCLID 5: See chapter D.17.3 Executing data migration.
Check the migration report and edit the migrated dataset as appropriate: See chapter D.17.4 Post-processing - Clean-up after migration.
This use case assumes that several persons are involved in the compilation of a dataset either within the Legal entity itself (i.e. several coworkers of a company or organisation being responsible for specific IUCLID sections) or outside of the Legal entity (e.g. a consultant contributing to the dataset).
As regards the creation and compilation of a Substance dataset the same principles apply as instructed for Use case 1. The following hints on possible options are intended to help you find the guidance needed to handle a dataset by different persons:
Option 1: If your IUCLID instance is a network installation, the administrator can grant different access rights to different persons as described in chapter D.16.3 Feature "Role Management": How to set a Role (privilege settings). For instance, persons A and B may only be allowed to edit either part 6 Ecotoxicological Information or 7 Toxicological information, respectively, while all other sections are set to read-only.
Option 2: If different persons compile parts for the same dataset using individual IUCLID installations, one person should manage the master dataset. The following workflow could apply:
Person A creates the master Substance dataset A, exports it to an export file (see chapter D.4.12 Exporting a Substance dataset) and sends the export file to persons B and C.
Persons B and C import the export file in their IUCLID installations (see chapter D.14.2 Importing a Substance, Template, Mixture or Category) .
Persons A, B and C populate the sections for which they are responsible.
Person B and C create export files for their sections and send them to person A, who imports the files into the master dataset. In the selection table displayed by the Import assistant, person A can verify that only specific Endpoint sections or records are imported, while others are excluded.
Option 3: Same scenario as option 2, except that all persons involved created their own Substance datasets for the same submission substance. This means, that datasets A, B and C exist with different UUIDs (see chapter D.4.9.1 Tab "Information" and UUID (Universal Unique Identifier)). Hence, importing any export files created out of datasets B or C by person A would create two additional datasets in that IUCLID installation, but would not add the data from B and C to the master dataset A.
In this case, the only way out is the use of the IUCLID clipboard manager, which allows to import records from any dataset into the clipboard and paste them in another dataset, e.g. the master dataset A (see chapter D.14.4 Importing single Endpoint Records using the clipboard manager).
This use case includes reference to guidance on what to take into account with regard to data compilation when a consortium / joint submission or Task Force has been established.
A joint submission of data can be managed using IUCLID based on the available features for handling Substance/Mixture datasets, Categories and Dossiers. As outlined in chapter E.1.5 Joint submission, the lead Legal entity has to create the joint submission in its local IUCLID installation and specify the Legal entities of all consortium members. The lead Legal entity manages the data that are intended to be included in the joint submission, while all members of the consortium manage the data they wish to submit separately. In the end, a joint submission Dossier will be submitted by the lead Legal entity. Subsequently, each registrant has to submit separately the information that does not have to be included in the joint submission. For detailed guidance, see chapter D.8.2.6 Creating a joint submission Dossier.
This use case includes the preparation of Endpoint summary records which are intended to point out the most relevant and reliable data of an Endpoint section and to provide input for the hazard assessment.
This feature is described in chapter D.4.8 How to manage Endpoint summary records in sections 4 - 10. It should be noted that only one Endpoint summary record per Endpoint section can be created. It is recommended to prepare Endpoint summaries for a section, when it is sufficiently populated with all relevant Endpoint study records.
This use case assumes that the Annotation feature is used for the internal review process.
The Annotations feature is explained in chapter D.4.9.6 Tab "Annotations". It provides a means for making annotations on any record in the Substance dataset. It is primarily designed for the use by regulatory authorities, when evaluating the data submitted by the applicant. However, it may also be used by the Legal entity compiling a Substance dataset, for example, in the context of the internal review and revision process. Each annotation record is associated to one Endpoint record identified by one specific UUID (see chapter D.4.9.1 Tab "Information" and UUID (Universal Unique Identifier)). It is possible to export and import only annotation records, provided that annotated Endpoint records have the same UUIDs both in the commenter's and the recipient's dataset.
This use case includes the attachment of an assessment report created outside of IUCLID to section 13 Assessment reports of a Substance dataset.
IUCLID provides a separate section (13 Assessment Reports), which serves as placeholder to attach any assessment report(s), e.g. a chemical safety report in the context of REACH or an OECD SIDS Initial assessment report (SIAR). This allows to submit the technical dossier and the assessment report in one package. Multiple records can be created in that section in case several pieces of reports need to be attached.
This use case addresses the creation of a Registration Dossier as required for REACH. The principles apply also for any other dossier types.
A typical workflow can consist of the following steps:
Compile all required data in a Substance dataset as outlined for Use case 1.
Be aware that you can fill in all available data in the respective Endpoint sections, even if they are no data requirements. The view mode selected in the section tree pane (e.g. "REACH Registration 1 - 10 tonnes, standard requirements") only highlights the mandatory sections (in red), but does not exclude any other Endpoint sections (unless they are not required at all for the envisaged type of dossier). See chapter D.4.3.3.1 Section tree pane.
Prepare Endpoint summary records (see Use case 5).
Create a Dossier out of the raw data compiled in the Substance dataset (see chapter D.8 Dossier (Create Dossier and view Dossier data)).
This use case assumes that the regulatory agency receiving a registration or submission Dossier distributes this Dossier to other regulatory organisations (e.g. Competent Authorities of the Member States) asking for comments. All annotations made by the parties involved in the review and evaluation process are collected by the responsible Agency including its own annotations.
A typical workflow can consist of the following steps:
The responsible Agency adds an annotation to the Dossier itself and possibly also to any Dossier data (see chapters D.8.4 Annotating a Dossier and D.4.9.6 Tab "Annotations").
The responsible Agency creates an export file containing the Dossier including annotations and sends this file to the other regulatory organisations (see chapter D.8.8. Exporting a Dossier).
If the other regulatory organisations had already received the Dossier in parallel or in advance of any annotations made by the responsible Agency, only the annotations need to be included in the export file and distributed.
The receiving regulatory organisations import the export file in their IUCLID installations (see chapter D.14.8 Importing Dossiers).
The regulatory organisations add their annotations as appropriate (see chapters D.8.4 Annotating a Dossier and D.4.9.6 Tab "Annotations").
Each regulatory organisation creates an export file containing the annotations only and sends this file to the responsible Agency (see chapter D.8.8. Exporting a Dossier).
The original annotation records added by the responsible Agency cannot be excluded from the export file. However, when the receiving Agency imports this export file, the Import assistant deselects all annotations that are already available in the IUCLID installation. In addition, a comparison indicator is indicated showing whether any annotation in the export file is identical, older, different or new as compared to the receiving IUCLID installation. This may be of relevance if a regulatory organisation submits additional export files with annotations.
The receiving responsible Agency imports the export files in its IUCLID installation (see chapter D.14.8 Importing Dossiers).
This use case assumes that a regulatory agency or organisation receives several registration or submission Dossiers for the same substance and uses data from the different datasets to prepare one Dossier.
A typical workflow can consist of the following steps:
The responsible Agency creates a Substance dataset for the substance under consideration.
The Agency copies all relevant records from the different registrants' Dossiers and pastes them in the Substance dataset (see chapter D.8.3 Copying Dossier data).
Be aware that only in Endpoint sections multiple records can be added to a dataset, while sections 0 to 3 comprise one record only (see chapter D.4.6.1 Differences between sections 0 - 3 and sections 4 - 13).
As necessary, the Agency adds annotations to any records (see Use case 9).
This is the only possibility to comment any inconsistencies or errors in registrant's Endpoint records, because records copied from a Dossier remain "sealed" in the target dataset and cannot be edited. If editing of records is desired, the corresponding raw data have to be made available to the Agency (see also chapter B.5.1 Principles of layered system used in IUCLID 5).
The Agency creates a Dossier out of the Substance dataset (see chapter D.8 Dossier (Create Dossier and view Dossier data)).