History of Changes

August 28, 2017, Compound Registration 17.08.28-1996

Ability to edit metadata of a lot when the lot is part of a multi-component compound.

Structure types (e.g. Mixture) accessible from the structure editor can be hidden.

Project assignment is made for case insensitive LDAP usernames.

Email addresses as usenames and long usernames are allowed.

Search button is disabled while a search is in progress.

Fix for Failing registration if name generation (via chemical terms) is used in case of empty structures.

Fix for Load mapping file on the Upload page.

Fix for Source change does not refresh additional data inputs on the Browse page.

Fix for Unable to register with empty Project field using MySQL DB when using Project based access.

Fix for No results are displayed when changing the search level (all the search criteria all deleted when changing the search level).

Fix for Molecular formula overlaps the Molweight value using Internet Explorer.

August 9, 2017, Compound Registration 17.08.14-1931

Suggestion list improvements.

Adding primary key to the MULTI_COMPONENTS table.

Fix for polymer publishing to downstream when associating projects.

Fix for NPE when "chemicalterms" was used (Oracle).

Fix for Active Directory authentication issue.

July 21, 2017, Compound Registration 17.07.24-1889

New navigation bar.

New layout of the Registration, Submission and Browse pages.

The registration of compounds having Unknown CSTs can be controlled by a switcher, CSTs are not automatically added to the CST Dictionary.

Formerly "Check" option is renamed to "Find" (near to the structure editor).

Suggestion list improvements: the formerly "2D match" type is replaced with "stereoisomer" and "CST different" match types.

LDAP usernames can be used case-insensitive during login.

Fix for the constant flashing error (There is no configuration for "") received on the Browse page.

Fix for the failing polymer publishing to downstream when using projects.

Fix for the SOAP authentication issue.

July 03, 2017, Compound Registration 17.07.10-1844

Bug fixes related to:

  • Basic authentication

  • JChem version dependency clash

June 23, 2017, Compound Registration 17.06.26-1828

Registration of virtual compounds (compounds without lots) is available on the Registration and Upload pages.

New "Check" window (Suggestion list) for suggested structures based on the database matches is available on the Registration, Submission and Browse pages.

Fix for the successful saving of the mapping file on the Upload page.

Fix for the SDF file import of submissions in the Staging area.

June 7, 2017, Compound Registration 17.06.12-1738

Resource handling of Compound Registration has been changed!

External resources of the registration system will be loaded from the home directory from now on. More details can be found here.

The installation wizard is available. Includes the followings:

  • License configuration page

  • Database configuration page

  • Creating the admin user

  • Welcome page for missing properties

The login.html was removed and the login page is put in the angular application.

Improved polymer handling.

Fix for: Cannot use any type of LnbRef when loading components from the DB

Fix for: Substructure search won't find every eligible structure

Fix for: Applet is not loading in IE

Fix for: Project info is displayed twice on the Browse page if the Project based access is enabled

Fix for: The project list has an empty item when a submission without project is in staging (Oracle)

May 16, 2017, Compound Registration 17.05.22-1687

New login page and login.html has been removed.

New REST API documentation.

Exchange webservices2 with custom MarvinJs services (integrated to a custom controller).

The application can run without authentication properties.

Project lists can be stored/displayed for a lot.

Back to search results remembers the exact position in the Search result list.

Improved polymer representation.

JChem version upgraded to 17.2.27.

KahaDB was eliminated, temporary files are not created.

"Update layout" info can be delivered in the downstream system.

New salt/solvate import.

Fix the substructure search in order to display all the matches.

Fix the applet not loading issue in IE.

Fix for Register lot not successful if providing the LnbRef is not required.

April 3, 2017, Compound Registration 17.04.10-1606

Components can be loaded by providing the LnbRef.

The full name and email of the user can be saved.

Search page: select all option is available.

Search page: sorting is remembered.

UI is adapting to the screen size.

Fix for "Created on" field is not populated on the UI.

Fix for preventing registering Mixtures containing two identical components.

March 9, 2017, Compound Registration 17.03.13-1525

The search field is added to the navigation bar, left side Browse is removed.

New style Search page: more intuitive "More columns" dropdown, more intelligent row clicking, remembering column configuration.

New improved Forms and Field configuration page.

Administration menu order change.

New style Dictionary Manager.

February 21, 2017, Compound Registration 17.02.27-1504

New Salt and Solvate page.

Improved Forms and Fields Configuration.

REST API documentation available.

February 9, 2017, Compound Registration 17.02.13-1447

System requirements have been changed to Java JDK: 1.8 and Apache Tomcat 8.

Improved Access Control: new Users & Groups and Projects pages.

Fix "Register All" issue from the Staging area in case of compounds having no structure just CST.

Fix the bulk upload issue for large SD Files containing compounds having no structure just CST.

Fix for Oracle issue, when adding additional data resulted in a list.

Fix for Register lot functionality used from the Submission page.

Fix for the shifted table columns on the Staging and Search page.

Fix for advanced registration in the case when Id providing (LnbRef) is not needed.

Fix for bulk upload when invalid format characters where used for salt fields.

January 24, 2017, Compound Registration 17.01.30-1410

Improved the handling of multi-component compounds. Store components at version level.

Introduce handling of Polymers. Polymers can be created and stored from registered monomers.

Project info can be amended.

Fix the bulk upload issue when "Auto-generated" was set for the Library identifier.

November 18, 2016, Compound Registration 16.11.21-1195

Field generator (e.g. Chemical Terms ) implemented.

November 7, 2016, Compound Registration 16.11.07-1164

Ability to register a lot from the Browse page.

Ability to navigate back to the Search page from the Browse page.

Improved field configuration.

Storing the "source" also for parent and version level and "source" changes can be saved on each level.

October 11, 2016, Compound Registration 16.10.17-1095

Fixing Internet Explorer 11 Registration page issue.

Structure Editor: salts and solvates are listed with their names and IDs.

October 10, 2016, Compound Registration 16.10.10-1092

The new layout of the Registration, Submission and Browse pages.

Browsing page with two different looks: View and Edit mode.

Forms and fields validations are available.

Measurement data can be registered within a collection type group.

Salts and solvates can be added from one single button.

August 31, 2016, Compound Registration 16.09.05-917

Expanding the Register lot functionality.

Simplifying the storing of multi-component compounds.

A prototype for measurement data is available.

August 22, 2016, Compound Registration 16.08.29-897

Date filtering is available on the Search page.

August 15, 2016, Compound Registration 16.08.22-870

Publicly accessible download site for the Compound Registration was created.

July 25, 2016, Compound Registration 16.07.25-806

Monitoring that checks the availability of CompReg test servers was added.

July 18, 2016, Compound Registration 16.07.18-795

Changes in the REST API to enable requests of structures based on any ID.

January, 2014: Compound Registration 6.2.0

New Features and Improvements

Registration Web Client

  • An administration interface is available for the new general dictionary handling module

  • New stereo and geometric isomerism sample dictionaries are available that can be used e.g. in the configurable dropdown fields

  • New staging table user interface was created that features dynamic filtering and pagination free navigation

  • Staging area user interface can now have different configurations for different user groups (if a user is part of multiple groups then the union of the items defined for the groups will be available for the user)

Registration Back-end Services

  • A standardized server-side parameter management solution is implemented that helps the easy configuration of the back-end business rules

  • A refactored packaging is provided with a single war file for easier deployment

  • External data reader service is now fully integrated into the application

  • A command line tool can be provided to help the MySQL-to-Oracle migration

  • On parent and version level the submitter is also calculated from the preparation level data

  • A general dictionary handling module is provided on server side

  • A new Spring based authentication solution is provided that supports authentication against local DB, LDAP, AD

  • Submission source based StuctureChecker configurations of the system are now exposed to the client application(s)

Integration, Export-Import

  • The VERSION_SALT_SOLVATE table is populaterd during the downstream data transfer

Bugfixes

Registration Web Client

  • A parent-only record could not be displayed when the system was configured to hide the version level

  • Event triggering and synchronization issues are fixed when using the structure editor in Mozilla Firefox

  • The fused image is the default view and all the necessary buttons are enabled on the amendment page even if using MarvinJS as a structure editor

Registration Back-end Services

  • LLA: twig optimization was performed when two lots were present but the user had permission only for one of those lots

  • Users having only "read", "read_own" or "write_own" permissions within a project could undelete lots which belonged to other users

  • The submitter ID of a newly created version was enherited from the parent instead of the lot

  • After accepting a match the newly created version would not inherit the submitter of its own preparation

November, 2013: Compound Registration 6.1.3

Improvements

Registration Web Client

  • An additional button is available on the registration confirmation dialog that redirects to an external page

  • Customizable dropdowns can be created optionally on the free-text input fields of the registration page

  • It is possible to include the logged in user ID in the validation query of the fields on registration page

  • The content of the "Registration successful" is now configurable

Registration Back-end Services

  • A refactored packaging is provided with a single war file for easier deployment

  • LotID is now populated with the autoincremented ID of the PREPARATION DB table if the incoming LotID is 0 and LotID validations are turned off

Integration, Export-Import

  • The VERSION table of the downstream DB contains a fused structure image of the version (besides the structure and salt fingerprint)

Bugfixes

Registration Web Client

  • Salt import issues fixed on certain combinations of Internet Explorer 10 - Java 7 runtime - https connection

  • No results were displayed on the search page if the user had no permission to view the first 5 preparations

  • Long text entries were not visible in the dropdown fields

  • Using Internet Exploer 10 project access control window was empty

  • Once Marvin JS was loaded, parent multiplicity could not be modified

  • CST dropdown on Registration/Submission/Amendment pages was hidden behind the structure editor

  • Close button had to be clicked several times in order to close a structure opened from a search query list

Integration, Export-Import

  • Records having parent multiplicity were not going downstream

  • Submissions registered by the Bulkloader are now properly transferred downstream

September, 2013: Compound Registration 6.1.0

New Features and Improvements

Registration Web Client

  • Hiding the Version level on the Amendment page is configurable

  • Hiding the Version level on the Search page is configurable

  • It is possible to bulk register saved/restored submissions

  • Salts and/or solvates can be imported from an SD file

  • Marvin for JavaScript as available as a structure editor

  • The displayed columns on the Search page are customizable

  • The 'Assign to specified user' functionality is available on the Submission page

  • Project data can be searched and filtered on the Search page

  • Project info storage and basic administration GUI page

Registration Back-end Services

  • A new service method is available that returns and also reserves the next available PCN(s)

  • Project based restrictions are applied for registration, staging, amendment and search procedures

  • Hiding the Version level on the Amendment page is configurable

  • Hiding the Version level on the Search page is configurable

  • The autoversionfix code is updated with the new MCES algorithm

  • Project data can be searched and filtered on the Search page

  • Configurable corporate ID can be generated for the Lot level

Bugfixes

Registration Web Client

  • It was not possible to bulk register submissions with edited structures, the records were registered with their original structures, not with the modified ones

  • On the Search page a part of the search query and results were greyed out

  • On the Amendment page it was not possible to change the parent multiplicity if the salt/solvate info was not modified

  • Structure type was empty for registered records with "unknown=isomer #" data

  • Bulkloader was not working and it was not possible to successfully import salt/solvates from an SD file using IE10 browser

Registration Back-end Services

  • It was not possible to continue a registration that involved manual version fix if an inconsistent tree was caused

Integration, Export-Import

  • Exported search results containing "or#" flags and "and1" flags with "Range 56-79%" were not displayed in MarvinView

July, 2013: Compound Registration 6.0.2

Bugfixes

Registration Web Client

  • Staging table was empty when running Oracle on certain localizations

June, 2013: Compound Registration 6.0.1

Improvements on the Registration Web Client

  • Apply common ChemAxon style to the User administration table

  • Salt search table cleanup, styling and usability changes

Bugfixes

Registration Web Client

  • The "No salts and solvates found" message was not received when searching for non-existing salt/solvate Id

  • The registration/amendment of records with the salts/solvates was not possible using the "Open salt admin page" button in the "No salts and solvates found" window

  • On the Amendment page when changing the structure type or added/modified a component CST, there was no Amend option unless you click in the structure area or in the CST field

  • It was not possible to register a CST only record using ChemDraw as structure editor if you clicked on the structure area

  • Mixtures with ranges [21-44% and 45-55%] / [56-79% and 45-55% ] were not client validated and they fell to the Staging area

  • On the Submission page there was no response when clicking on Register after correcting the LnbRef

Registration Back-end Services

  • When using the register with CN option the lot level additional data were not stored

  • Inconsistent tree was caused after amending a single compound to a multi-component compound when the components are newly created and further amendment is performed on the multi-component compound while the parent and version Ids are kept

  • Two PCN's are reserved for the same component when registering a multi-component compound with two components having the same component (with isotope or with charge)

  • It was possible to register salts/solvates without name

  • The RejectId system switcher set to "true" had no effect on "No structure" submissions since these were still visible in the Staging area

May, 2013: Compound Registration 6.0.0

New Features and Improvements

Registration Web Client

  • Ability to use ChemDraw as a structure editor instead of MarvinSketch applet

  • Internet Explorer compatibility (v9 or higher)

  • Configurable data input fields on the Registration page (mandatory/optional fields, data validation rules)

  • Chemically Significant Text dictionary, ability to select CSTs from a predefined list

  • Specify custom molecular formula during registration, store in the database

  • Enter project data for submissions, configure data validation on project input

  • View project data for parent, version and lot levels on the Amendment page

  • Real-time validation of input fields on the Registration page

Registration Back-end Services

  • LotID validation configurability – mandatory/optional, uniqueness check

  • Storage of project data in the registry database

  • Return project data for parent, version and lot levels

  • E-mail feedback to the submitter about the status of a submission

Integration, Export-Import

  • Active Directory integration

  • Support Oracle 11g as a back-end DBMS

  • Downstream service – ability to send all structure data modifications of the registry to a JMS messaging server, create a default implementation of the message consumer

Bugfixes

Registration Web Client

  • Version level amendment issues of multi-component structures when components also exist as singles

  • “Show all” button did not work on the Search page

  • Accept and Replace buttons were available even if there was an exact match in the database

  • Structure/CST amendment was allowed even if the level to be changed had no lots

  • Delete structure window did not disappear after deleting a PCN

  • Amendment of multi-component structured was not successful if component removal and structural changes happened at the same time

  • “Open salt admin page” button did not work

  • Register button in the Staging area / Submission page was not active after a structurechecker error

  • When amending a CST-only single to a multi-component compound the CST was also added to the first component

  • “Analyze salt/solvate” switch did not work in the Staging area

  • Complex PCN-separation cases did not work

  • LotID validation allowed non-numeric entries

  • Submissions with InvalidSalt status could not be registered anymore

  • Audit of parent level amendment showed version structure on the target side

  • Salts and solvates could not be searched by ID in the “Add new salt/solvate” window

  • List of recent salts and solvates contained the same entry multiple times

  • Search page showed ‘results 1-5’ in the status line even if there were less than 5 results

  • User supplied molecular weights were not considered when searching

  • Version molecular weights were shown only without salts/solvates

  • Single to multi-component amendment was enabled and failed on parent level

  • No warning message and login dialog came when the session expired

  • Fixed to use “:” instead of “-” before salt multiplicities

  • Match list did not show “Accept” and “Replace” buttons for tautomer matches

  • “Similar to” option was missing from CST search on Search page

  • Rename LnbRef to an invalid one showed a summary of the unsuccessful modification and redirected the user to the non-existent invalid ID

  • Molecular weight and CST were not editable after the “components used elsewhere” warning dialog

  • Salt/solvate removal in version level or lot level amendment of singles was unsuccessful

  • Submission was not assigned to the user when opened up from the Registration page

  • In Mozilla Firefox the “Register”, “Amend” and “Add Salt/Solvate” buttons had to be clicked twice in order to perform the operation

  • Editable additional info on Submission page could not be added after once deleted

  • Could not add a salt or solvate to the dictionary if first navigated to another tab of the administration page

  • Staging area showed an empty page when having more than 8000 entries

  • Salt search page did not work properly

  • Manage database dialogs on the Administration page did not return proper error message if the provided password was incorrect

  • After hitting Enter instead of clicking on the “Deploy database” button (Administration page - Manage database tab) the password was displayed in the URL field of the browser and the requested operation was not performed

Registration Back-end Services

  • Parent multiplicity validation problems, values other than 1 accepted even if there were no salts/solvates

  • Undelete of a version returned a NullPointerException when the lot under the deleted version was moved to another tree

  • No results were returned by the GetNextDirtyTree service call if the tree had no lots

  • Could not register/amend a multi-component structure if a component had isotopes on explicit hydrogens

  • Version level amendment issues of multi-component structures when components also exist as singles

  • Structure/CST amendment was allowed even if the level to be changed had no lots

  • Version level amendment was unsuccessful if previously a lot was deleted and a new lot registered to the same version

  • Complex PCN-separation cases did not work

  • Isotopes were lost in manual version fix cases that involved explicit hydrogens

  • Analyze salt/solvate method fixed to return a proper submission status

  • Amendment of isotopic/charged single to multi-component (on version or lot level) resulted in 2 parents created for the same component and an unsuccessful amendment

  • CST modification involving manual version fix could not be performed

  • Changing structure (CST) and salt/solvate info at the same time in twig optimization cases showed no salt/solvate modification in the audit

  • Bulkloader could not register without lot ID even if lot ID validation was switched off

  • New version was created after registration from Submission page involving manual version fix

  • Specified molecular weight was not saved during autoregistration

  • Molecular weight (structure and salt) condition did not work together with substructure search

Integration, Export-Import

  • Superfluous characters appeared in the result of the SD file Export, SD file was unreadable

  • Downstream systems did not reflect move lot and manual version fix changes

  • Exported SD file was empty if any of the search results had a null molecular weight