2D and 3D Pharmacophore Searching |
Fast 2D and 3D Pharmacophore Sketching, Editing and Searching
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- Sketch a 2D pharmacophore include points such as hydrogen bond donor, acceptor, distance, aromatic, hydrophobic.
- Search 2D and 3D databases with a 2D pharmacophore search.
- Color 2D molecules by pharmacophore.
- Extract 3D pharmacophore points from a ligand.
- Extract 3D pharmacophore fragments from a ligand.
- Search 3D pharmacophores against databases containing 3D coordinates.
- Score hits and output results to chemical spreadsheets.
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