Automating data delivery and databasing – Case Study
Information
Case
Institution: A top Pharma Company
Market: Chemistry & Pharma
Number of Employes: 200 discovery and development chemists
Uses for tool: Circa 100,000 sample per annum
Market: Third party ELNs (Biovia, IDBS)
Type of installation: In-house developed, long standing tool for data delivery to chemists (upkeep – maintenance/bug fixing a challenge)
Objectives
Short term: To greatly simplify access of all chemists to their analytical data, review of the data and re-storage.
Mid term: To enhance the use of analytical data and avoid work repetition through lack of awareness or visibility of previous work.
Solution
The solution implemented has several elements:
- MnovaMnova Database
- Databasing automation
- Workflow driven data access and review
The workflow
The workflow is very simple and unified / standardised. It is therefore easy to teach new chemists and has little room for error / problems.
Improvements on previous system:
- Data are databased in real time, automatically (no errors, nothing is missed)
- Data are available to chemists as soon as acquired
- Data are processed and templates applied in Real Time
- Sample Number, Experiment ID, User ID, date and all other relevant metadata are harvested in Real Time and made available for searching
- PDFs are generated and archived in Real Time
- Search the system from a greatly simplified interface, within Mnova
- Data are retrieved by Sample Number, Experiment ID and other clear identifiers
- Data can be searched by date, user, project, etc., if ‘lost’
- Structure, peak and multiplet search are also available
- Chemist can reprocess and, after reprocessing, the following happens with one single click:
- Resetting of reports – Apply templates
- Resave to DB with new version number, tagged as human reviewed
- PDF generated on the fly and archived
Improvements on previous system:
- Time saved
- No browsing around file systems to find data, just enter identifier
- Easily find ‘lost’ data (if you don’t know where it is, the DB will find it)
- Retrieve already analysed data with one click
- Reprocess, reanalyse and reset layout of data with one click
- Resave to DB, version and archive PDF with one click
- No need to specify save locations, the system knows
- Better information
- All data for a given identifier (e.g., Sample Number) are presented to chemist, so he can see analytical data or structure, other chemists analysis, etc., which he may not have been aware of