Compound Library has an audit trail system called Notebook that records all the operations that are affecting the data, annotating together with the action done, the author (who has made the change in the experiment) and the date. This information is shown in the right panel on every opened experiment, and it can be output to a report, but the user cannot modify it. If the changes in the experiment are done by the system, the user is set to Unknown.
Also, the database consolidation action that is use for data integration is reported in the audit trail of the system. Only users with the enabled role to modify an experiment it can consolidate the data from a particular experiment.
All the information that is produced by WebMetabase it is saved in a SQL database system, that can be under several systems: MySQL and Oracle and the preferred ones. The schema of the database is also available for the user. The data it is saved in standard format using mol format for structure description. In this way this database can also be queried directly from the SQL server. The system uses 2 schemas one of the information about the experiment and another one where the raw datafiles are parked. In the second one the database is used to park the long files that are used as an entire blob of data.
Licensing and Free/easy access to your data
The licensing system is flexible and can be configured to give you access to the different modules of the application. The license system grants to the user the possibility to import new data to the system, but the user can retrieve any data that has been already introduced into the system without the need of having a valid license. Therefore, the data is always available to the user independently of the license.
Compound Library provides a RESTful API service to communicate with 3rd party software. (link to the Restful API manual)
- Compound level data