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 Vol 6: A rotation-translation invariant molecular descriptor of partial charges and its use in ligand-based virtual screening.


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This article is from Journal of Cheminformatics, volume 6.AbstractBackground: Measures of similarity for chemical molecules have been developed since the dawn of chemoinformatics. Molecular similarity has been measured by a variety of methods including molecular descriptor based similarity, common molecular fragments, graph matching and 3D methods

Author: Berenger, Francois; Voet, Arnout; Lee, Xiao Yin; Zhang, Kam YJ

Source: https://archive.org/



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