Status April 2012
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Current Activity
ChemData
- Improved the molecule details dialog.
- Added similarity graph views based on structure and fingerprint similarities.
- Added K-Means clustering support.
- Implemented function to export molecules from the database to a local file.
- Current Screenshots:
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New Molecule Details Dialog
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Graph showing similarity between a group of molecules
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Histogram showing the distribution of polar surface area in a group of molecules
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K-Means clustering dialog showing mass against volume against polar surface area