Exact(1)
This provides a reference to select diverse descriptor sets when sampling several in a PCM project rather than needing to benchmark all of them.
Similar(7)
The test-set reduction is performed using the Kennard and Stone algorithm: compounds with the most diverse descriptors are selected.
In this system, the documents are processed in their descriptive, textual, and image content, the MetaMedia multimedia database platform is used to account for both metadata and content, and a browsing and searching interface is developed where all the various and diverse descriptors are fully accessible and linked together.
Diverse descriptors and methods have already been validated on existing data [23], [24], [25].
Ultimately, Dragon and Cerius2, which utilize a large number of diverse molecular descriptor values to describe each odor structure, performed better than AP or MCS, suggesting that a more diverse set of descriptors is better at explaining Or activity than two-dimensional measures alone.
ChemminR can calculate some basic molecular properties while PyBioMed can calculate various and diverse molecular descriptors, especially a series of featured fingerprints.
No significant differences were found for diverse sensory descriptors.
SA2 stores unique molecules in a MySQL database, and encapsulates several chemoinformatics methods, among which: providers management, interactive visualisation, scaffold analysis, diverse subset creation, descriptors calculation, sub-structure / SMART search, similarity search and filtering.
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