منابع مشابه
The EVA spectral descriptor.
The EVA descriptor is derived from fundamental IR and Raman range molecular vibrational frequencies. EVA is sensitive to 3-D structure, but has an advantage over field-based 3-D QSAR methods inasmuch as it is invariant to both translation and rotation of the structures concerned and thus structural superposition is not required. The latter property and the demonstration of the effectiveness of ...
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The EVA structural descriptor, based upon calculated fundamental molecular vibrational frequencies, has proved to be an effective descriptor for both QSAR and database similarity calculations. The descriptor is sensitive to 3D structure but has an advantage over field-based 3D-QSAR methods inasmuch as structural superposition is not required. The original technique involves a standardisation me...
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Mel-frequency cepstral coefficients are used as an abstract representation of the spectral envelope of a given signal. Although they have been shown to be a powerful descriptor for speech and music signals, more accurate and easily interpretable options can be devised. In this study, we present and evaluate the shape-based spectral contrast descriptor, which is build up from the previously prop...
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In this paper, we propose a novel descriptor for shapes. The proposed descriptor is obtained from 3D spherical harmonics. The inadequacy of 2D spherical harmonics is addressed and the method to obtain 3D spherical harmonics is described. 3D spherical harmonics requires construction of a 3D model which implicitly represents rich features of objects. Spherical harmonics are used to obtain descrip...
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ژورنال
عنوان ژورنال: European Journal of Medicinal Chemistry
سال: 2000
ISSN: 0223-5234
DOI: 10.1016/s0223-5234(00)00141-0