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CambridgeSofts Registration System Frequently Asked Questions

Overview
CambridgeSoft offers a web based chemical registration application called Registration System. The following is a series of frequently asked questions regarding this tool. Registration System can be combined with other CambridgeSoft applications such as Inventory Enterprise, ChemACX Database, BioAssay Enterprise and BioSAR Enterprise although some details of these components are not discussed here.
contains numerous fields pertaining to the compound including a chemical structure field linked to a ChemDraw toolbar for quick and accurate drawing of chemical structures. The record, when first added, is sent to a temporary table ready for review before being entered into the company-wide registration database. After being reviewed, the record is registered. When a record is registered, the compound is given a unique compound registration number for future identification. Can the system register batches of compounds? Yes. ChemLoader, Registration Systems batch loading application, registers batches of compounds from any

Registration
Can you briefly describe the Registration System workflow? Registration System compound records are entered through a web-based form. The form

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ChemFinder database. This makes registering entire SDFiles worth of data as simple as importing the file, and telling the application where to put the data. Does the system perform any duplicate checking? Duplicate checking is performed during the registration process (when the record is moved from the temporary review table to the registration database). If a duplicate is detected in the registration database, the user is asked what to do with the new record:
1. create a duplicate record 2. create a new batch of the

How are salts registered? Both compound level records as well as batch level records contain salt and solvate information. There are a number of options which indicate how salt and solvate information is recorded. Administrators can configure Registration System to recognize salts in the appropriate way: If set to COMPOUND (the default), salts and solvates are properties of a batches record. If set to SALT, salts are interpreted as parent compounds of a record and make a composite registry number What type of information is/can be contained in a compound registration record? There are over 120 fields available for an administrator to customize for use in Registration System forms. Those fields include items such as chemical structure, chemical name, synonyms, registration number, molecular weight, molecular formula, etc. Any field, including 15 customizable fields, can be adjusted to your needs, and any field can be removed or added to/from the default form. Please

contact CambridgeSoft Technical Support for more information. Can an approval process be implemented? Yes. The system can be configured to use approval flags at the top of each record. Can I assign my compounds to a project? Yes, project is a default field of the compound record. If a compound is assigned to a particular project, and Row Level Security (a project level security) is configured, only duplicate compounds in the same project will be flagged as duplicates in the registration process.

compound
3. leave the record in the

temporary table. How does the system assign registration numbers? Unique registration numbers are assigned in a sequence. Administrators are free to create their own sequences in the system, including a prefix, suffix, and a starting number. This sequence is chosen as part of the compound record. Therefore, you could have a different sequence for each project, if desired.

Chemistry Support
Is the system able to display the two-dimensional chemical structure of any compound? Yes. Structures are displayed within ChemDraw windows embedded in the browser. Structure data can be saved to a file, copied to the clipboard, zoomed, converted to alternate structure formats (MOL, SMILES), and analyzed for chemical composition from within the browser. ChemDraw also provides optimal display and print quality for two

CambridgeSofts Registration System - Frequently Asked Questions 2


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dimensional structures. Optionally structures can be displayed as gif images. How is a duplicate detected? Duplicates are detected according to user preferences. The following options exist: Match tetrahedral stereo When set to 1, tetrahedral stereochemistry must be the same in order for a compound to be flagged as a duplicate. Match double bond stereo When set to 1, double-bond stereochemistry must be the same in order for a compound to be flagged as a duplicate. Thick Bonds Represent Relative Stereochemistry When set to 1, any thick bond drawn in the reference compound is interpreted as relative stereochemistry when comparing possible duplicates. See the ChemOffice Enterprise Searching Preferences whitepaper for more information.

query definition capabilities. Structure queries are drawn directly into ChemDraw windows embedded in the browser. All search preferences are user controlled and remembered by the browser. Is the system able to find compounds by chemical name? Yes. Chemical name is one of over 120 searchable attributes available. Additionally chemical names can be normalized so that minor syntactical differences such as dashes and commas, alternate spellings, and common typos are made irrelevant. Can hitlists be saved and exported? Yes. Any hitlist can be exported to a SDFile. Hitlists can also be saved and merged with other hitlists.

biological data at once and create a report containing only the information you would like to see. Can I create inventory containers from Registration System compounds? Yes. If configured to link to Inventory Enterprise, any hits marked in Registration System can be sent to Inventory Enterprise by clicking on the Send Hits to Inventory Manager button. This allows users to create a container for each compound sent to Inventory Enterprise. Not only does this decrease the amount of data re-entry necessary, this also limits the amount of human error involved in copying information. Changes made to

Searching
Is the system able to find compounds by a substructure search? Yes. The system supports exact, substructure and similarity searches with comprehensive
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Integration with other Applications


Can I use Registration System with BioSAR Enterprise? Yes. All of the links necessary to search over Registration System are built in, when integrated with BioSAR Enterprise. Search over your registration data and

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the record in Registration System are immediately reflected in Inventory Enterprise.

Administration
How do I configure the Registration System forms to look the way I want them to look? Any field can be added or removed by changing settings in a configuration file. You can change the layout of the form with some knowledge of ASP. Please contact CambridgeSoft Technical Support before attempting to make any changes. How do I add items to picklist fields such as prefix, project, and structure comment? If a user has administrator privileges, a section will be visible on the Registration System homepage called

Administration. There are tools under this heading that allow you to add and remove items in any standard picklist in Registration System. This is also where administrators can define new experiments and new registration number sequences.

Security is implemented, users can only see and manipulate data associated with projects they are a part of. This is an optional security feature. Please contact CambridgeSoft Technical Support for more details. Does this system provide an API? Fully documented HTTP and Oracle Stored Procedure APIs are available. Is there documentation for system database schema? The database schema, PL/SQL code and ASP code is unencrypted and accessible to customers. What are the server software requirements? Operating System Windows 2000 Server SP2 OR Windows 2000 Advanced Server SP2 CambridgeSoft Software CambridgeSoft ChemOffice Enterprise STD CambridgeSoft ChemDraw Pro Plugin/ActiveX Control 7 or 8.0.7 Microsoft and Oracle Oracle 8i or 9i

Non-Functional Requirements
What is the maximum number of concurrent users the system can support? Maximum concurrent users are determined by hardware. CambridgeSoft hosts various internet accessible chemical databases such as ChemFinder.com, ChemACX.com, and The Merck Index which use the same underlying technology as Registration System. As a bench mark, the ChemFinder.com application supports over 8,000 searches a day. It is hosted on a mid range dual processor Intel sever. What is Row Level Security? Row-level security is an optional level of security (at the project level) implemented above the standard Oracle roles. Each compound, when registered, is assigned to a project. If Row Level

CambridgeSofts Registration System - Frequently Asked Questions 4


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