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REPOSITORY: Structuring chemical & biological “big data” creating integrity for future AI
- From $20 per user/month
- Import SDF, SMILES Can & Iso, SMARTS, Mol
- Export in SDF, CSV and Excel
- Combine disparate data all at once
- 10 million records managed
- Change attributes en-masse
- Accurate stereochemistry
- De-duplication & federation on structure
- Search/merge on structure
- ‘Excel-like’
- Total Security
- Export in CSV, Excel & SDF formats
- Cut & Paste multiple cells
- Ready-to-use & cloud-based
*Billions of records by request
- Import SDF, SMILES Can & Iso, SMARTS, Mol
- Export in SDF, CSV and Excel
- Combine disparate data all at once
- 10 million records managed
- Change attributes en-masse
- Accurate stereochemistry
- De-duplication & federation on structure
- Search/merge on structure
- ‘Excel-like’
- Total Security
- Export in CSV, Excel & SDF formats
- Cut & Paste multiple cells
- Ready-to-use & cloud-based
*Billions of records by request
Merge, edit & search on Structure!
REPOSITORY enables you to merge data based around molecules, search, add and remove data, and edit existing data. Full chiral, salt, and mixture compliant. When you’re done, simply export the results as an SDF file, no matter how many records.
Upload unlimited SD-files up to 10,000,000 rows in total.
Search by structures and data across selected files using integrated Ketcher!
Merge hitlist into one new file.
Search by structures and data across selected files using integrated Ketcher!
Merge hitlist into one new file.
Search across all your files!
Draw a structure or upload a .mol file to filter any dataset by structure.
Set up filters by attribute values and null search to further refine search results.
Download filtered results as a new SD-file.
Set up filters by attribute values and null search to further refine search results.
Download filtered results as a new SD-file.
Powerful table filtering
Calculate 22 molecular properties for your data set from uploaded files, search results or manually entered structures.
Calculated Properties
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Choose your REPOSITORY Subscription.
24-hour free trial.
24-hour free trial.
Everything in Library Edition, plus:
Store up to 10,000,000 structures
Calculate molecular properties and auto-populate columns
Knowledge
$59.99
paid montly
Edit data in bulk
Add new rows and columns
Get the access to all tool features:
Store up to 1,000 structures
Read SD files one by one
Editor
$19.99
/per month*
paid montly
Filter and sort data
Structure search
Edit data one by one only
Add and draw chemical structures with integrated Ketcher
Export edits and search results to SD file format
Everything in Editor Edition, plus:
Store up to 10,000 structures
Structure Search across all files with integrated Ketcher
Library
$39.99
/per month*
paid montly
Create new files by merging selected files, or from search results
Export selected records
/per month*
*applicable sales and value added tax is not included
Everything in Editor Edition, plus:
Store up to 10,000 structures
Structure Search across all files with integrated Ketcher
Library
$31
/per month*
paid annually, $374 per year
Create new files by merging selected files, or from search results
Export selected records
Everything in Library Edition, plus:
Store up to 10,000,000 structures
Calculate molecular properties and auto-populate columns
Knowledge
$47
/per month*
paid annually, $566 per year
Edit data in bulk
Add new rows and columns
Get the access to all tool features:
Store up to 1,000 structures
Read SD files one by one
Editor
$16
/per month*
paid annually, $192 per year
Filter and sort data
Structure search
Edit data one by one only
Add and draw chemical structures with integrated Ketcher
Export edits and search results to SD file format
*applicable sales and value added tax is not included
