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A large number of molecular representations exist, and there are several methods (similarity and distance metrics) to quantify the similarity of molecular representations.
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However, there is no firm evidence to confirm that such representations exist for general objects.
These representations exist in the form of ontologies and controlled vocabularies in general.
Analogous distinctions between implicit and explicit representations exist in other areas of cognition, notably learning.
CDPs portray the diversity calculated with three major molecular representations: molecular scaffolds, fingerprints, and physicochemical properties.
According to the different molecular representations, the molecular descriptors are divided into 20 logical blocks.
Testing the statistical significance of molecular representations is a rational approach to select molecular representations to generate robust activity landscape models and identify statistically significant activity cliffs.
Several standard molecular representations in ASCII format which are easily readable by molecular modeling and chemoinformatics software packages are available.
A number of molecular representations and similarity coefficients have been proposed [1] to quantify the molecular similarity between single molecular structures and compound libraries.
The Avogadro application uses OpenGL to render molecular representations to the screen interactively.
A platform for generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions.
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