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N.B.! These descriptors can be only used for model development on OCHEM web site and cannot be exported.
ADRIANA.Code comprises a unique combination of methods for calculating molecular descriptors on a sound geometric and physicochemical basis. These descriptors can be used for a wide range of applications in all areas of chemistry, in particular in QSAR/QSPR.
ADRIANA.Code contains a series of methods for the generation of 3D structures and the calculation of physicochemical descriptors and molecular properties based on rapid empirical models. In addition, it contains a hierarchy of increasing levels of sophistication in representing chemical compounds from the constitution to the 3D structure of a molecule. At each level, a wide range of physicochemical effects are included in the molecular descriptors.
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