History of Changes
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
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An administration interface is available for the new general dictionary handling module
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New stereo and geometric isomerism sample dictionaries are available that can be used e.g. in the configurable dropdown fields
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New staging table user interface was created that features dynamic filtering and pagination free navigation
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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
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A standardized server-side parameter management solution is implemented that helps the easy configuration of the back-end business rules
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A refactored packaging is provided with a single war file for easier deployment
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External data reader service is now fully integrated into the application
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A command line tool can be provided to help the MySQL-to-Oracle migration
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On parent and version level the submitter is also calculated from the preparation level data
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A general dictionary handling module is provided on server side
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A new Spring based authentication solution is provided that supports authentication against local DB, LDAP, AD
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Submission source based StuctureChecker configurations of the system are now exposed to the client application(s)
Integration, Export-Import
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The VERSION_SALT_SOLVATE table is populaterd during the downstream data transfer
Bugfixes
Registration Web Client
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A parent-only record could not be displayed when the system was configured to hide the version level
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Event triggering and synchronization issues are fixed when using the structure editor in Mozilla Firefox
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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
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LLA: twig optimization was performed when two lots were present but the user had permission only for one of those lots
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Users having only "read", "read_own" or "write_own" permissions within a project could undelete lots which belonged to other users
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The submitter ID of a newly created version was enherited from the parent instead of the lot
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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
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An additional button is available on the registration confirmation dialog that redirects to an external page
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Customizable dropdowns can be created optionally on the free-text input fields of the registration page
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It is possible to include the logged in user ID in the validation query of the fields on registration page
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The content of the "Registration successful" is now configurable
Registration Back-end Services
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A refactored packaging is provided with a single war file for easier deployment
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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
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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
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Salt import issues fixed on certain combinations of Internet Explorer 10 - Java 7 runtime - https connection
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No results were displayed on the search page if the user had no permission to view the first 5 preparations
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Long text entries were not visible in the dropdown fields
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Using Internet Exploer 10 project access control window was empty
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Once Marvin JS was loaded, parent multiplicity could not be modified
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CST dropdown on Registration/Submission/Amendment pages was hidden behind the structure editor
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Close button had to be clicked several times in order to close a structure opened from a search query list
Integration, Export-Import
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Records having parent multiplicity were not going downstream
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Submissions registered by the Bulkloader are now properly transferred downstream
September, 2013: Compound Registration 6.1.0
New Features and Improvements
Registration Web Client
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Hiding the Version level on the Amendment page is configurable
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Hiding the Version level on the Search page is configurable
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It is possible to bulk register saved/restored submissions
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Salts and/or solvates can be imported from an SD file
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Marvin for JavaScript as available as a structure editor
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The displayed columns on the Search page are customizable
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The 'Assign to specified user' functionality is available on the Submission page
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Project data can be searched and filtered on the Search page
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Project info storage and basic administration GUI page
Registration Back-end Services
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A new service method is available that returns and also reserves the next available PCN(s)
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Project based restrictions are applied for registration, staging, amendment and search procedures
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Hiding the Version level on the Amendment page is configurable
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Hiding the Version level on the Search page is configurable
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The autoversionfix code is updated with the new MCES algorithm
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Project data can be searched and filtered on the Search page
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Configurable corporate ID can be generated for the Lot level
Bugfixes
Registration Web Client
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It was not possible to bulk register submissions with edited structures, the records were registered with their original structures, not with the modified ones
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On the Search page a part of the search query and results were greyed out
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On the Amendment page it was not possible to change the parent multiplicity if the salt/solvate info was not modified
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Structure type was empty for registered records with "unknown=isomer #" data
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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
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It was not possible to continue a registration that involved manual version fix if an inconsistent tree was caused
Integration, Export-Import
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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
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Staging table was empty when running Oracle on certain localizations
June, 2013: Compound Registration 6.0.1
Improvements on the Registration Web Client
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Apply common ChemAxon style to the User administration table
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Salt search table cleanup, styling and usability changes
Bugfixes
Registration Web Client
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The "No salts and solvates found" message was not received when searching for non-existing salt/solvate Id
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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
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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
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It was not possible to register a CST only record using ChemDraw as structure editor if you clicked on the structure area
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Mixtures with ranges [21-44% and 45-55%] / [56-79% and 45-55% ] were not client validated and they fell to the Staging area
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On the Submission page there was no response when clicking on Register after correcting the LnbRef
Registration Back-end Services
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When using the register with CN option the lot level additional data were not stored
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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
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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)
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It was possible to register salts/solvates without name
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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
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Ability to use ChemDraw as a structure editor instead of MarvinSketch applet
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Internet Explorer compatibility (v9 or higher)
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Configurable data input fields on the Registration page (mandatory/optional fields, data validation rules)
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Chemically Significant Text dictionary, ability to select CSTs from a predefined list
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Specify custom molecular formula during registration, store in the database
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Enter project data for submissions, configure data validation on project input
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View project data for parent, version and lot levels on the Amendment page
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Real-time validation of input fields on the Registration page
Registration Back-end Services
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LotID validation configurability – mandatory/optional, uniqueness check
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Storage of project data in the registry database
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Return project data for parent, version and lot levels
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E-mail feedback to the submitter about the status of a submission
Integration, Export-Import
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Active Directory integration
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Support Oracle 11g as a back-end DBMS
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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
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Version level amendment issues of multi-component structures when components also exist as singles
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“Show all” button did not work on the Search page
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Accept and Replace buttons were available even if there was an exact match in the database
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Structure/CST amendment was allowed even if the level to be changed had no lots
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Delete structure window did not disappear after deleting a PCN
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Amendment of multi-component structured was not successful if component removal and structural changes happened at the same time
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“Open salt admin page” button did not work
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Register button in the Staging area / Submission page was not active after a structurechecker error
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When amending a CST-only single to a multi-component compound the CST was also added to the first component
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“Analyze salt/solvate” switch did not work in the Staging area
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Complex PCN-separation cases did not work
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LotID validation allowed non-numeric entries
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Submissions with InvalidSalt status could not be registered anymore
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Audit of parent level amendment showed version structure on the target side
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Salts and solvates could not be searched by ID in the “Add new salt/solvate” window
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List of recent salts and solvates contained the same entry multiple times
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Search page showed ‘results 1-5’ in the status line even if there were less than 5 results
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User supplied molecular weights were not considered when searching
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Version molecular weights were shown only without salts/solvates
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Single to multi-component amendment was enabled and failed on parent level
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No warning message and login dialog came when the session expired
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Fixed to use “:” instead of “-” before salt multiplicities
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Match list did not show “Accept” and “Replace” buttons for tautomer matches
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“Similar to” option was missing from CST search on Search page
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Rename LnbRef to an invalid one showed a summary of the unsuccessful modification and redirected the user to the non-existent invalid ID
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Molecular weight and CST were not editable after the “components used elsewhere” warning dialog
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Salt/solvate removal in version level or lot level amendment of singles was unsuccessful
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Submission was not assigned to the user when opened up from the Registration page
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In Mozilla Firefox the “Register”, “Amend” and “Add Salt/Solvate” buttons had to be clicked twice in order to perform the operation
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Editable additional info on Submission page could not be added after once deleted
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Could not add a salt or solvate to the dictionary if first navigated to another tab of the administration page
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Staging area showed an empty page when having more than 8000 entries
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Salt search page did not work properly
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Manage database dialogs on the Administration page did not return proper error message if the provided password was incorrect
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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
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Parent multiplicity validation problems, values other than 1 accepted even if there were no salts/solvates
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Undelete of a version returned a NullPointerException when the lot under the deleted version was moved to another tree
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No results were returned by the GetNextDirtyTree service call if the tree had no lots
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Could not register/amend a multi-component structure if a component had isotopes on explicit hydrogens
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Version level amendment issues of multi-component structures when components also exist as singles
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Structure/CST amendment was allowed even if the level to be changed had no lots
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Version level amendment was unsuccessful if previously a lot was deleted and a new lot registered to the same version
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Complex PCN-separation cases did not work
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Isotopes were lost in manual version fix cases that involved explicit hydrogens
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Analyze salt/solvate method fixed to return a proper submission status
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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
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CST modification involving manual version fix could not be performed
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Changing structure (CST) and salt/solvate info at the same time in twig optimization cases showed no salt/solvate modification in the audit
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Bulkloader could not register without lot ID even if lot ID validation was switched off
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New version was created after registration from Submission page involving manual version fix
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Specified molecular weight was not saved during autoregistration
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Molecular weight (structure and salt) condition did not work together with substructure search
Integration, Export-Import
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Superfluous characters appeared in the result of the SD file Export, SD file was unreadable
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Downstream systems did not reflect move lot and manual version fix changes
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Exported SD file was empty if any of the search results had a null molecular weight