History of Changes

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


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


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)


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


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


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


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


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