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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.
Search across all your files!
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.
Powerful table filtering
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.
Calculated Properties
Calculate 22 molecular properties for your data set from uploaded files, search results or manually entered structures.
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