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DatasetSpecifies which dataset will be searched.
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The user can select between the different datasets existing in the AMBIT database. Subsequent searches will be performed only within the selected dataset. |
Results outputSpecifies where search results will appear.
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Similarity methodSpecifies which similarity method will be used by similarity search.
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FingerprintsFingerprint similarity uses Tanimoto distance between 1024 hashed fingerprints generated by The Chemistry Development Kit, CDK class Fingerprinter. It follows the ideas of Daylight fingerprint theory, i.e.
Atom environmentsatom environments, circular fingerprintsTanimoto coefficient on atom environments |
Molecule processing options![]() |
There are number of actions applied to structures in the Molecule broswer. By default the actions are applied to the current structure. To apply the action to all structures in the Molecule broswer:
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