A novel descriptor based on atom-pair properties
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DOI: 10.1186/s13321-016-0187-6
Abstract: BackgroundMolecular descriptors have been widely used to predict biological activities and physicochemical properties or to analyze chemical libraries on the basis of similarity. Although fingerprints and properties are generally used as descriptors, neither is perfect… read more here.
Keywords: descriptor; pair properties; based atom; atom pair ... See more keywords