Roughness of Molecular Property Landscapes and Its Impact on Modellability
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DOI: 10.1021/acs.jcim.2c00903
Abstract: In molecular discovery and drug design, structure-property relationships and activity landscapes are often qualitatively or quantitatively analyzed to guide the navigation of chemical space. The roughness (or smoothness) of these molecular property landscapes is one… read more here.
Keywords: property landscapes; landscapes impact; roughness molecular; property ... See more keywords